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

Systemtic Name: ethyl 1-cyclopropyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C31H30N2O5S MolecularWeight: 542.6453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C6CC6

InChI

InChI=1S/C31H30N2O5S/c1-4-38-31(35)28-18-33(24-9-10-24)29-20(3)26(13-14-27(29)30(28)34)21-7-8-22-16-32(17-23(22)15-21)39(36,37)25-11-5-19(2)6-12-25/h5-8,11-15,18,24H,4,9-10,16-17H2,1-3H3