ethyl 1-cyclopropyl-7-[(2,6-dimethylphenyl)-pyridin-4-yl-methyl]sulfanyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[(2,6-dimethylphenyl)-pyridin-4-yl-methyl]sulfanyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[(2,6-dimethylphenyl)-(4-pyridyl)methyl]sulfanyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[[(2,6-dimethylphenyl)-pyridin-4-ylmethyl]thio]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[(2,6-dimethylphenyl)-pyridin-4-ylmethyl]sulfanyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-[[(2,6-dimethylphenyl)-(4-pyridyl)methyl]thio]-6,8-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C29H26F2N2O3S MolecularWeight: 520.590146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)SC(C3=CC=NC=C3)C4=C(C=CC=C4C)C)F)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)SC(C3=CC=NC=C3)C4=C(C=CC=C4C)C)F)C5CC5

InChI

InChI=1S/C29H26F2N2O3S/c1-4-36-29(35)21-15-33(19-8-9-19)25-20(26(21)34)14-22(30)28(24(25)31)37-27(18-10-12-32-13-11-18)23-16(2)6-5-7-17(23)3/h5-7,10-15,19,27H,4,8-9H2,1-3H3