Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1 |
InChIKey | InChI | 1.03 | QWECZCOMCCHXGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S@-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 |
SMILES | CACTVS | 3.385 | C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O |