[(1R)-1-cyanoethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [(1R)-1-cyanoethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

C[C@H](C#N)OC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C16H20N2O4S/c1-11(10-17)22-16(20)13(8-9-23-3)18-15(19)12-6-4-5-7-14(12)21-2/h4-7,11,13H,8-9H2,1-3H3,(H,18,19)/t11-,13+/m1/s1