1. Primary Information
| English name: | ethyl N-[9-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,2-dioxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c]thiophen-6-yl]carbamate;ethyl N-[4-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-2,2-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-naphtho[3,2-c][1,2]thiazol-7-yl]carbamate;ethyl N-[4-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate |
| CAS No.: | 67665-18-3 |
| Molecular formula: | C85H101F3N8O11S2 |
| Molecular weight: | 1531.9 g/mol |
| SMILES: | CCOC(=O)NC1CCC2C(C1)CC3CS(=O)(=O)CC3C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F.CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)CC(=O)N3C.CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)CS(=O)(=O)N3C |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 分子量2000 | 304 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 分子量2000 | 1216 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 分子量5000 | 243 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 分子量5000 | 729 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | MW:350 | 1040 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | MW:350 | 3120 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | MW:1K | 304 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | MW:1K | 1216 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | MW:10K | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | MW:10K | 2880 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethyl N-[9-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,2-dioxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-c]thiophen-6-yl]carbamate;ethyl N-[4-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-2,2-dioxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-naphtho[3,2-c][1,2]thiazol-7-yl]carbamate;ethyl N-[4-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate
4.2 InChI
InChI=1S/C29H34FN3O3.C28H34FN3O4S.C28H33FN2O4S/c1-3-36-29(35)32-23-10-11-24-20(14-23)15-27-26(16-28(34)33(27)2)25(24)12-9-22-8-7-19(17-31-22)18-5-4-6-21(30)13-18;1-3-36-28(33)31-23-10-11-24-20(14-23)15-27-26(17-37(34,35)32(27)2)25(24)12-9-22-8-7-19(16-30-22)18-5-4-6-21(29)13-18;1-2-35-28(32)31-24-9-10-25-20(14-24)12-21-16-36(33,34)17-27(21)26(25)11-8-23-7-6-19(15-30-23)18-4-3-5-22(29)13-18/h4-9,12-13,17,20,23-27H,3,10-11,14-16H2,1-2H3,(H,32,35);4-9,12-13,16,20,23-27H,3,10-11,14-15,17H2,1-2H3,(H,31,33);3-8,11,13,15,20-21,24-27H,2,9-10,12,14,16-17H2,1H3,(H,31,32)
4.3 InChIKey
ZYQYJTOMDGWANI-UHFFFAOYSA-N
4.4 Canonical SMILES
CCOC(=O)NC1CCC2C(C1)CC3CS(=O)(=O)CC3C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F.CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)CC(=O)N3C.CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)CS(=O)(=O)N3C
4.5 Isomeric SMILES
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