dimethyl 5-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-methylsulfanylpyridin-3-yl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[2-(methylthio)-3-pyridinyl]-oxomethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-(methylthio)nicotinoyl]oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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