(2R)-4-methylsulfanyl-N-(3-nitrophenyl)-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2R)-4-methylsulfanyl-N-(3-nitrophenyl)-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2R)-4-methylsulfanyl-N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2R)-4-(methylthio)-N-(3-nitrophenyl)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2R)-4-methylsulfanyl-N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2R)-4-(methylthio)-N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O5S/c1-28-11-10-17(21-18(23)13-27-16-8-3-2-4-9-16)19(24)20-14-6-5-7-15(12-14)22(25)26/h2-9,12,17H,10-11,13H2,1H3,(H,20,24)(H,21,23)/t17-/m1/s1