[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-[4-(p-tolylsulfanyl)phenyl]isoindoline-5-carboxylate CAS Name: 2-[4-[(4-methylphenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(p-tolylthio)phenyl]isoindoline-5-carboxylic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C31H22ClNO5S MolecularWeight: 556.02808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC(C)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC(C)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H22ClNO5S/c1-18-6-11-24(12-7-18)39-25-13-9-23(10-14-25)33-29(35)26-15-8-21(17-27(26)30(33)36)31(37)38-19(2)28(34)20-4-3-5-22(32)16-20/h3-17,19H,1-2H3