methyl 2-[[4-nitro-2-(phenylmethylsulfanyl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-nitro-2-(phenylmethylsulfanyl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[(2-benzylsulfanyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[[4-nitro-2-(phenylmethylthio)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[[2-(benzylthio)-4-nitro-benzoyl]amino]acetic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O5S/c1-24-16(20)10-18-17(21)14-8-7-13(19(22)23)9-15(14)25-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)