| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)C(C)CC |
| SMILES_CANONICAL | CACTVS | 3.352 | CC[C@@H](C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c2ccccc2 |
| SMILES | CACTVS | 3.352 | CC[CH](C)C(SC[CH](N)C(O)=O)(c1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCC(C)C(c1ccccc1)(c2ccccc2)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | AEXWHNCQYTYTMP-QAPCUYQASA-N |
