cyanomethyl (2R)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: cyanomethyl (2R)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl (2R)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid cyanomethyl ester Formula: C14H14ClN3O5S MolecularWeight: 371.79606

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC#N)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)OCC#N)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O5S/c1-24-7-4-11(14(20)23-6-5-16)17-13(19)9-2-3-10(15)12(8-9)18(21)22/h2-3,8,11H,4,6-7H2,1H3,(H,17,19)/t11-/m1/s1