S64
Summary
| Name: | (3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine |
| Formula: | C14 H17 N O S |
| Formal charge: | 0 |
| Formula weight: | 247.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | UUZJLPGKBGVKQC-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2=NCC[C@H]3SCC[C@H]23 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C2=NCCC3C2CCS3 |
