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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-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-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(3-methyl-2-tosyl-isoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C32H31FN2O6S MolecularWeight: 590.661743

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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(C4C)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(C4C)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)OC)C6CC6

InChI

InChI=1S/C32H31FN2O6S/c1-5-41-32(37)26-17-34(22-10-11-22)29-25(30(26)36)15-27(33)28(31(29)40-4)20-8-9-21-16-35(19(3)24(21)14-20)42(38,39)23-12-6-18(2)7-13-23/h6-9,12-15,17,19,22H,5,10-11,16H2,1-4H3