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

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-benzoylbutyl 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-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-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 1-benzoylbutyl ester Formula: C33H27NO5S MolecularWeight: 549.63618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)C

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)C

InChI

InChI=1S/C33H27NO5S/c1-3-7-29(30(35)22-8-5-4-6-9-22)39-33(38)23-12-19-27-28(20-23)32(37)34(31(27)36)24-13-17-26(18-14-24)40-25-15-10-21(2)11-16-25/h4-6,8-20,29H,3,7H2,1-2H3