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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C31H29FN2O6S MolecularWeight: 576.635163

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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)OC)C6CC6

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)OC)C6CC6

InChI

InChI=1S/C31H29FN2O6S/c1-4-40-31(36)25-17-34(22-9-10-22)28-24(29(25)35)14-26(32)27(30(28)39-3)19-7-8-20-15-33(16-21(20)13-19)41(37,38)23-11-5-18(2)6-12-23/h5-8,11-14,17,22H,4,9-10,15-16H2,1-3H3