| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCSc2nc1ccccc1n2CCOc3ccc(cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-11-21-17-5-3-2-4-16(17)20-19(21)25-13-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | KGCGDYADLNUQIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(OCCn2c(SCCC(O)=O)nc3ccccc23)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(OCCn2c(SCCC(O)=O)nc3ccccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O |
