| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Oc2ccc(CC1C(NC(=O)S1)=O)cc2)Cc3ncc(C(C)O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)/t12-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | OXVFDZYQLGRLCD-SJCJKPOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O |
