Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC(=O)c1sc(nc1C)c2ccc(cc2)C(F)(F)F)CO |
InChI | InChI | 1.03 | InChI=1S/C15H13F3N2O4S/c1-7-11(12(22)20-10(6-21)14(23)24)25-13(19-7)8-2-4-9(5-3-8)15(16,17)18/h2-5,10,21H,6H2,1H3,(H,20,22)(H,23,24) |
InChIKey | InChI | 1.03 | YJGBVICLINVYSP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(sc1C(=O)N[C@@H](CO)C(O)=O)c2ccc(cc2)C(F)(F)F |
SMILES | CACTVS | 3.385 | Cc1nc(sc1C(=O)N[CH](CO)C(O)=O)c2ccc(cc2)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O |