dimethyl 2-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[2-(methylthio)-3-pyridinyl]-oxomethoxy]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[2-(methylthio)nicotinoyl]oxyacetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C19H18N2O7S/c1-26-17(23)11-6-7-12(18(24)27-2)14(9-11)21-15(22)10-28-19(25)13-5-4-8-20-16(13)29-3/h4-9H,10H2,1-3H3,(H,21,22)