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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 1-cyclopropyl-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-cyclopropyl-6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C31H29FN2O5S MolecularWeight: 560.635763

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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)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)C)C6CC6

InChI

InChI=1S/C31H29FN2O5S/c1-4-39-31(36)26-17-34(23-9-10-23)29-19(3)28(27(32)14-25(29)30(26)35)20-7-8-21-15-33(16-22(21)13-20)40(37,38)24-11-5-18(2)6-12-24/h5-8,11-14,17,23H,4,9-10,15-16H2,1-3H3