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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 1,3-bis(oxidanylidene)-2-(2-sulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 1,3-dioxo-2-(2-sulfanylphenyl)isoindoline-5-carboxylate CAS Name: 2-(2-mercaptophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 1,3-dioxo-2-(2-sulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-mercaptophenyl)isoindoline-5-carboxylic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C29H19NO5S MolecularWeight: 493.52986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5S

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5S

InChI

InChI=1S/C29H19NO5S/c31-25(20-12-10-19(11-13-20)18-6-2-1-3-7-18)17-35-29(34)21-14-15-22-23(16-21)28(33)30(27(22)32)24-8-4-5-9-26(24)36/h1-16,36H,17H2