Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C3N4C(=O)C(NC(=O)c2c(onc2c1ccccc1Cl)C)C4SC3(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1onc(c2ccccc2Cl)c1C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(O)=O |
SMILES | CACTVS | 3.341 | Cc1onc(c2ccccc2Cl)c1C(=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(no1)c2ccccc2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1 |
InChIKey | InChI | 1.03 | LQOLIRLGBULYKD-JKIFEVAISA-N |