| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc1cccc(c1)C1OCC2(CO1)SC(=O)NC2=O |
| InChI | InChI | 1.06 | InChI=1S/C12H10BrNO4S/c13-8-3-1-2-7(4-8)9-17-5-12(6-18-9)10(15)14-11(16)19-12/h1-4,9H,5-6H2,(H,14,15,16)/t9-,12+ |
| InChIKey | InChI | 1.06 | LCJOZZRUPQYHNU-WVSHTKLVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)[C@@H]2OC[C@@]3(CO2)SC(=O)NC3=O |
| SMILES | CACTVS | 3.385 | Brc1cccc(c1)[CH]2OC[C]3(CO2)SC(=O)NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)C2OCC3(CO2)C(=O)NC(=O)S3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)C2OCC3(CO2)C(=O)NC(=O)S3 |
