Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F |
InChI | InChI | 1.03 | InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21) |
InChIKey | InChI | 1.03 | VNVALNOVDDOJNH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O |
SMILES | CACTVS | 3.385 | CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F |