methyl (2S)-2-[2-cyanoethanoyl-(phenylmethyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-cyanoethanoyl-(phenylmethyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[benzyl-(2-cyanoacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(2-cyano-1-oxoethyl)-(phenylmethyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-(2-cyanoacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[benzyl-(2-cyanoacetyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC1=CC=CC=C1)C(=O)CC#N

Isomeric SMILES

COC(=O)[C@H](CCSC)N(CC1=CC=CC=C1)C(=O)CC#N

InChI

InChI=1S/C16H20N2O3S/c1-21-16(20)14(9-11-22-2)18(15(19)8-10-17)12-13-6-4-3-5-7-13/h3-7,14H,8-9,11-12H2,1-2H3/t14-/m0/s1