methyl 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[2-[(4-nitrophenyl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-12(28-15-7-5-14(6-8-15)21(24)25)18(22)20-11-13-4-9-17(26-2)16(10-13)19(23)27-3/h4-10,12H,11H2,1-3H3,(H,20,22)