Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cc(F)ccc1NC2=NC(=O)C(\S2)=C\c4c3ccccc3ccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H13FN2O3S/c22-14-8-9-17(16(11-14)20(26)27)23-21-24-19(25)18(28-21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,26,27)(H,23,24,25)/b18-10- |
InChIKey | InChI | 1.03 | SWEIVYMGBOSFGN-ZDLGFXPLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(F)ccc1NC2=NC(=O)/C(S2)=C/c3cccc4ccccc34 |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(F)ccc1NC2=NC(=O)C(S2)=Cc3cccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F |