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

Systemtic Name: methyl 2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylethanoate Openeye Name: methyl 2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetate CAS Name: 2-[[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanylacetate Traditional Name: 2-[[4-[(3-nitrobenzoyl)amino]phenyl]thio]acetic acid methyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c1-23-15(19)10-24-14-7-5-12(6-8-14)17-16(20)11-3-2-4-13(9-11)18(21)22/h2-9H,10H2,1H3,(H,17,20)