| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ncccc1O)NC(C(=O)O)CSCc2ncccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O4S/c19-12-5-3-7-17-13(12)14(20)18-11(15(21)22)9-23-8-10-4-1-2-6-16-10/h1-7,11,19H,8-9H2,(H,18,20)(H,21,22)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | KMBXCWNZAPWGKZ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H](CSCc1ccccn1)NC(=O)c2ncccc2O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](CSCc1ccccn1)NC(=O)c2ncccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)CSCC(C(=O)O)NC(=O)c2c(cccn2)O |
