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

Systemtic Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid (4-cyanobenzyl) ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-29-10-9-18(20(25)28-13-15-7-5-14(12-21)6-8-15)22-19(24)16-3-2-4-17(11-16)23(26)27/h2-8,11,18H,9-10,13H2,1H3,(H,22,24)/t18-/m1/s1