| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(N(C)C)c1cc(C#CC(C)(C)C)sc1C(=O)O)C2CCC(C)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C21H30N2O3S/c1-14-7-9-15(10-8-14)19(24)23(22(5)6)17-13-16(11-12-21(2,3)4)27-18(17)20(25)26/h13-15H,7-10H2,1-6H3,(H,25,26)/t14-,15- |
| InChIKey | InChI | 1.03 | LATMUSXHHVOIII-SHTZXODSSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1CC[C@@H](CC1)C(=O)N(N(C)C)c2cc(sc2C(O)=O)C#CC(C)(C)C |
| SMILES | CACTVS | 3.370 | C[CH]1CC[CH](CC1)C(=O)N(N(C)C)c2cc(sc2C(O)=O)C#CC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C |
