[(1R)-1-cyanoethyl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [(1R)-1-cyanoethyl] ester Formula: C15H16ClN3O5S MolecularWeight: 385.82264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O5S/c1-9(8-17)24-15(21)13(5-6-25-2)18-14(20)11-4-3-10(19(22)23)7-12(11)16/h3-4,7,9,13H,5-6H2,1-2H3,(H,18,20)/t9-,13+/m1/s1