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

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-phthalimido-butyric acid (4-cyanobenzyl) ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC=C(C=C1)C#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H18N2O4S/c1-28-11-10-18(21(26)27-13-15-8-6-14(12-22)7-9-15)23-19(24)16-4-2-3-5-17(16)20(23)25/h2-9,18H,10-11,13H2,1H3/t18-/m1/s1