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

Systemtic Name: ethyl 1-ethyl-6-fluoranyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6-fluoro-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C30H29FN2O5S MolecularWeight: 548.625063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)F)C(=O)OCC

InChI

InChI=1S/C30H29FN2O5S/c1-5-32-17-25(30(35)38-6-2)29(34)24-14-26(31)27(19(4)28(24)32)20-9-10-21-15-33(16-22(21)13-20)39(36,37)23-11-7-18(3)8-12-23/h7-14,17H,5-6,15-16H2,1-4H3