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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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