cyanomethyl (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: cyanomethyl (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: cyanomethyl (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid cyanomethyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-23-8-5-12(14(19)22-7-6-15)16-13(18)10-3-2-4-11(9-10)17(20)21/h2-4,9,12H,5,7-8H2,1H3,(H,16,18)/t12-/m1/s1