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

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-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-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C31H23NO6S MolecularWeight: 537.58242

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H23NO6S/c1-19(28(33)20-8-13-23(37-2)14-9-20)38-31(36)21-10-17-26-27(18-21)30(35)32(29(26)34)22-11-15-25(16-12-22)39-24-6-4-3-5-7-24/h3-19H,1-2H3