(4-methylsulfanylphenyl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(4-acetamidophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(4-acetamidophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-acetamidophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-acetamidophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [4-(methylthio)benzyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H20N2O5S/c1-15(28)26-18-6-8-19(9-7-18)27-23(29)21-12-5-17(13-22(21)24(27)30)25(31)32-14-16-3-10-20(33-2)11-4-16/h3-13H,14H2,1-2H3,(H,26,28)