(4-methylsulfanylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid [4-(methylthio)benzyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4S/c1-13(2)18(21(25)26-12-14-8-10-15(27-3)11-9-14)22-19(23)16-6-4-5-7-17(16)20(22)24/h4-11,13,18H,12H2,1-3H3