ethyl 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-5-phenylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-5-phenylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-5-phenylsulfanyl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-5-(phenylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxo-5-phenylsulfanylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-keto-5-(phenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C28H24F2N2O3S MolecularWeight: 506.563566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)C3=CC(=NC(=C3)C)C)F)SC4=CC=CC=C4)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)C3=CC(=NC(=C3)C)C)F)SC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H24F2N2O3S/c1-4-35-28(34)20-14-32(18-10-11-18)25-22(26(20)33)27(36-19-8-6-5-7-9-19)24(30)21(23(25)29)17-12-15(2)31-16(3)13-17/h5-9,12-14,18H,4,10-11H2,1-3H3