| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCCC1c1ccc2nc(N)sc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H14N2O2S/c14-13-15-10-5-4-7(6-11(10)18-13)8-2-1-3-9(8)12(16)17/h4-6,8-9H,1-3H2,(H2,14,15)(H,16,17)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.06 | NSBFRMSXDVJQFI-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)[C@@H]3CCC[C@H]3C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)[CH]3CCC[CH]3C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)sc(n2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C3CCCC3C(=O)O)sc(n2)N |
