| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1N=C(SC1)c2nc3c(cc2)cccc3O |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O3S/c16-10-3-1-2-7-4-5-8(14-11(7)10)12-15-9(6-19-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | ORCRDPGEVSKAFA-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CSC(=N1)c2ccc3cccc(O)c3n2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CSC(=N1)c2ccc3cccc(O)c3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2ccc(nc2c(c1)O)C3=NC(CS3)C(=O)O |
