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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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