| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C1C2CCC(C2)C1c1nc2ccccc2s1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15NO2S/c17-15(18)13-9-6-5-8(7-9)12(13)14-16-10-3-1-2-4-11(10)19-14/h1-4,8-9,12-13H,5-7H2,(H,17,18)/t8-,9+,12+,13+/m0/s1 |
| InChIKey | InChI | 1.06 | SEAHMXJMFDLNIE-HIAZDOBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c3sc4ccccc4n3 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1[CH]2CC[CH](C2)[CH]1c3sc4ccccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(s2)C3C4CCC(C4)C3C(=O)O |
