(1-oxidanylidene-1-phenyl-pentan-2-yl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: 1-benzoylbutyl 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid 1-benzoylbutyl ester Formula: C32H25NO5S MolecularWeight: 535.6096

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C32H25NO5S/c1-2-9-28(29(34)21-10-5-3-6-11-21)38-32(37)22-14-19-26-27(20-22)31(36)33(30(26)35)23-15-17-25(18-16-23)39-24-12-7-4-8-13-24/h3-8,10-20,28H,2,9H2,1H3