[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 2-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)OCC(=O)C3=CC(=C(C=C3)SC)NC(=O)C

InChI

InChI=1S/C23H22N2O6S/c1-12-5-7-16-17(9-12)22(29)25(21(16)28)13(2)23(30)31-11-19(27)15-6-8-20(32-4)18(10-15)24-14(3)26/h5-10,13H,11H2,1-4H3,(H,24,26)