[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C30H21NO5S/c1-19-7-9-20(10-8-19)27(32)18-36-30(35)21-11-16-25-26(17-21)29(34)31(28(25)33)22-12-14-24(15-13-22)37-23-5-3-2-4-6-23/h2-17H,18H2,1H3