ethyl 1-cyclopropyl-7-(2,6-dimethyl-3-pyridin-4-yl-phenyl)sulfanyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-(2,6-dimethyl-3-pyridin-4-yl-phenyl)sulfanyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[2,6-dimethyl-3-(4-pyridyl)phenyl]sulfanyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[(2,6-dimethyl-3-pyridin-4-ylphenyl)thio]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-(2,6-dimethyl-3-pyridin-4-ylphenyl)sulfanyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-[[2,6-dimethyl-3-(4-pyridyl)phenyl]thio]-6,8-difluoro-4-keto-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(C(=C(C=C2C1=O)F)SC3=C(C=CC(=C3C)C4=CC=NC=C4)C)F)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)SC3=C(C=CC(=C3C)C4=CC=NC=C4)C)F)C5CC5

InChI

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