methyl 4-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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