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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-13(2)19(23-20(25)16-6-4-5-7-17(16)21(23)26)22(27)28-12-18(24)14-8-10-15(29-3)11-9-14/h4-11,13,19H,12H2,1-3H3