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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(4-nitrophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7S/c1-25-15-8-13(18(22)27-3)14(9-16(15)26-2)19-17(21)10-28-12-6-4-11(5-7-12)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)