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

Systemtic Name: (phenylmethyl) (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: benzyl (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid benzyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-27-11-10-17(19(23)26-13-14-6-3-2-4-7-14)20-18(22)15-8-5-9-16(12-15)21(24)25/h2-9,12,17H,10-11,13H2,1H3,(H,20,22)/t17-/m1/s1