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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C30H21NO5S MolecularWeight: 507.55644

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C30H21NO5S/c1-19(27(32)20-8-4-2-5-9-20)36-30(35)21-12-17-25-26(18-21)29(34)31(28(25)33)22-13-15-24(16-14-22)37-23-10-6-3-7-11-23/h2-19H,1H3