ethyl 6-fluoranyl-1-(2-fluoranylcyclopropyl)-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-1-(2-fluoranylcyclopropyl)-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(2-fluorocyclopropyl)-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C31H28F2N2O5S MolecularWeight: 578.626226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C)C6CC6F

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C)C6CC6F

InChI

InChI=1S/C31H28F2N2O5S/c1-4-40-31(37)24-16-35(27-13-25(27)32)29-18(3)28(26(33)12-23(29)30(24)36)19-7-8-20-14-34(15-21(20)11-19)41(38,39)22-9-5-17(2)6-10-22/h5-12,16,25,27H,4,13-15H2,1-3H3