[(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [(1R)-1-cyanoethyl] ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-10(9-16)23-15(20)13(6-7-24-2)17-14(19)11-4-3-5-12(8-11)18(21)22/h3-5,8,10,13H,6-7H2,1-2H3,(H,17,19)/t10-,13+/m1/s1