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

Systemtic Name: ethyl 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoranyl-4-oxidanylidene-5,8-bis(phenylmethylsulfanyl)quinoline-3-carboxylate Openeye Name: ethyl 5,8-bis(benzylsulfanyl)-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6-fluoro-4-oxo-5,8-bis(phenylmethylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5,8-bis(benzylsulfanyl)-1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5,8-bis(benzylthio)-1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C36H33FN2O3S2 MolecularWeight: 624.787223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2SCC3=CC=CC=C3)C4=CC(=NC(=C4)C)C)F)SCC5=CC=CC=C5)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2SCC3=CC=CC=C3)C4=CC(=NC(=C4)C)C)F)SCC5=CC=CC=C5)C6CC6

InChI

InChI=1S/C36H33FN2O3S2/c1-4-42-36(41)28-19-39(27-15-16-27)32-30(33(28)40)34(43-20-24-11-7-5-8-12-24)31(37)29(26-17-22(2)38-23(3)18-26)35(32)44-21-25-13-9-6-10-14-25/h5-14,17-19,27H,4,15-16,20-21H2,1-3H3