| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)C[C@@H](N1C(=S)SC(/C1=O)=C/2C(=O)Nc3ccc(Br)cc/23)C(O)=O |
| SMILES | CACTVS | 3.352 | OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | QGNRETMYLHRUBB-OZEWEUHLSA-N |
