(4-methylsulfanylphenyl)methyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid [4-(methylthio)benzyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-25-16-8-5-13(9-15(16)20(23)24)18(22)19-10-17(21)26-11-12-3-6-14(27-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,19,22)