| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1Sc4ccccc4 |
| SMILES | CACTVS | 3.341 | OC(=O)c1n(Cc2ccccc2)c3ccc(Cl)cc3c1Sc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl |
| InChI | InChI | 1.03 | InChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26) |
| InChIKey | InChI | 1.03 | RFESUVTWCSFPBG-UHFFFAOYSA-N |
