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

Systemtic Name: methyl 4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(4-nitrophenyl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-12(26-16-9-7-15(8-10-16)20(23)24)17(21)19-11-13-3-5-14(6-4-13)18(22)25-2/h3-10,12H,11H2,1-2H3,(H,19,21)