| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6- |
| InChIKey | InChI | 1.03 | VMHLNIJHJPIPKG-POHAHGRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)/C=C/2SC(=O)N(CC(O)=O)C/2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C=C2SC(=O)N(CC(O)=O)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C=C2C(=O)N(C(=O)S2)CC(=O)O |
