Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)COc1cc(F)ccc1C(=O)NCc2sc3c(F)cc(F)c(F)c3n2 |
SMILES | CACTVS | 3.341 | OC(=O)COc1cc(F)ccc1C(=O)NCc2sc3c(F)cc(F)c(F)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F |
InChI | InChI | 1.03 | InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25) |
InChIKey | InChI | 1.03 | ZCAGEXZTORJQDZ-UHFFFAOYSA-N |