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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 1-benzoylpropyl 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-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-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-benzoylpropyl ester Formula: C32H25NO5S MolecularWeight: 535.6096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C32H25NO5S/c1-3-28(29(34)21-7-5-4-6-8-21)38-32(37)22-11-18-26-27(19-22)31(36)33(30(26)35)23-12-16-25(17-13-23)39-24-14-9-20(2)10-15-24/h4-19,28H,3H2,1-2H3