| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1C(\SC(=[N@H])N1)=C\c3oc(c2ccc(C(=O)O)cc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2oc(cc2)\C=C3/SC(=N)NC3=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2oc(cc2)C=C3SC(=N)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)C(=O)O)S1 |
| InChI | InChI | 1.03 | InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)/b12-7- |
| InChIKey | InChI | 1.03 | JLRKRQCTYQGDKJ-GHXNOFRVSA-N |
