Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(C)(c1cccs1)C(=O)OC)c1cc(C)n(n1)c1cc(ccc1)C(F)(F)F |
InChI | InChI | 1.06 | InChI=1S/C20H18F3N3O3S/c1-12-10-15(25-26(12)14-7-4-6-13(11-14)20(21,22)23)17(27)24-19(2,18(28)29-3)16-8-5-9-30-16/h4-11H,1-3H3,(H,24,27)/t19-/m0/s1 |
InChIKey | InChI | 1.06 | XCJKFSDARVULKK-IBGZPJMESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@](C)(NC(=O)c1cc(C)n(n1)c2cccc(c2)C(F)(F)F)c3sccc3 |
SMILES | CACTVS | 3.385 | COC(=O)[C](C)(NC(=O)c1cc(C)n(n1)c2cccc(c2)C(F)(F)F)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nn1c2cccc(c2)C(F)(F)F)C(=O)N[C@@](C)(c3cccs3)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nn1c2cccc(c2)C(F)(F)F)C(=O)NC(C)(c3cccs3)C(=O)OC |