ethyl 3-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-2-24-17(21)12-4-3-5-13(10-12)18-16(20)11-25-15-8-6-14(7-9-15)19(22)23/h3-10H,2,11H2,1H3,(H,18,20)