1-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-5-phenylsulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 1-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-5-phenylsulfanyl-quinoline-3-carboxylic acid Openeye Name: 1-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-5-phenylsulfanyl-quinoline-3-carboxylic acid CAS Name: 1-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-5-(phenylthio)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxo-5-phenylsulfanylquinoline-3-carboxylic acid Traditional Name: 1-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-5-(phenylthio)quinoline-3-carboxylic acid Formula: C23H16F2N2O3S MolecularWeight: 438.446546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)N2C=C(C(=O)C3=C2C(=CC(=C3SC4=CC=CC=C4)F)F)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=N1)C)N2C=C(C(=O)C3=C2C(=CC(=C3SC4=CC=CC=C4)F)F)C(=O)O

InChI

InChI=1S/C23H16F2N2O3S/c1-12-8-14(9-13(2)26-12)27-11-16(23(29)30)21(28)19-20(27)17(24)10-18(25)22(19)31-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,29,30)