diethyl 2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]propanedioate

Systemtic Name: diethyl 2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]propanedioate Openeye Name: diethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]propanedioate CAS Name: 2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]propanedioate Traditional Name: 2-[[2-(methylthio)nicotinoyl]amino]malonic acid diethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C14H18N2O5S/c1-4-20-13(18)10(14(19)21-5-2)16-11(17)9-7-6-8-15-12(9)22-3/h6-8,10H,4-5H2,1-3H3,(H,16,17)