methyl (2S)-2-[(4-cyanophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-cyanophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(4-cyanobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-cyanophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-cyanobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-cyanobenzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)12(7-8-20-2)16-13(17)11-5-3-10(9-15)4-6-11/h3-6,12H,7-8H2,1-2H3,(H,16,17)/t12-/m0/s1