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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[2-(4-nitrophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[2-[(4-nitrophenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S/c1-11(29-13-7-5-12(6-8-13)21(24)25)18(22)20-15-10-17(27-3)16(26-2)9-14(15)19(23)28-4/h5-11H,1-4H3,(H,20,22)