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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-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-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-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-keto-1-methyl-2-phenyl-ethyl) ester Formula: C31H23NO5S MolecularWeight: 521.58302

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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

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

InChI

InChI=1S/C31H23NO5S/c1-19-8-13-24(14-9-19)38-25-15-11-23(12-16-25)32-29(34)26-17-10-22(18-27(26)30(32)35)31(36)37-20(2)28(33)21-6-4-3-5-7-21/h3-18,20H,1-2H3