| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(OC)cc1)NC(=O)CSc2ncc(cc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClN2O4S/c1-22-12-4-3-10(16)6-11(12)18-13(19)8-23-14-5-2-9(7-17-14)15(20)21/h2-7H,8H2,1H3,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | XMYZLTXLDRMRAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Cl)cc1NC(=O)CSc2ccc(cn2)C(O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(Cl)cc1NC(=O)CSc2ccc(cn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl |
