(4-methylsulfanylphenyl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [4-(methylthio)benzyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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