| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)(C)c2cc1c(nc(s1)CC(N)C(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O2S/c1-7(2)8-3-4-10-11(5-8)18-12(15-10)6-9(14)13(16)17/h3-5,7,9H,6,14H2,1-2H3,(H,16,17)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | FHFZVXAZMGSTPH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc2nc(C[C@H](N)C(O)=O)sc2c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc2nc(C[CH](N)C(O)=O)sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccc2c(c1)sc(n2)CC(C(=O)O)N |
