cyanomethyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: cyanomethyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid cyanomethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC#N)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)OCC#N)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16N2O3S/c1-20-10-7-12(14(18)19-9-8-15)16-13(17)11-5-3-2-4-6-11/h2-6,12H,7,9-10H2,1H3,(H,16,17)