| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C3(SCC(N23)C(=O)OC)c4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3ccccc23)c4ccccc4 |
| SMILES | CACTVS | 3.341 | COC(=O)[CH]1CS[C]2(N1C(=O)c3ccccc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C1CSC2(N1C(=O)c3c2cccc3)c4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | JYIHODAXBBPFQF-MAUKXSAKSA-N |
