(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC(C1=CC=CC=C1)C(=O)N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)OC(C1=CC=CC=C1)C(=O)N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O5S/c1-29-12-11-16(23-19(25)14-9-5-6-10-15(14)20(23)26)21(27)28-17(18(22)24)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3,(H2,22,24)