| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)C(SCC(C(=O)O)N)(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccc(Cl)cc3)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](CSC(c1ccccc1)(c2ccccc2)c3ccc(Cl)cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | BSTXYLCINUXYQF-FQEVSTJZSA-N |
