2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetate IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetate Formula: C11H9N2O3S- MolecularWeight: 249.26576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)[O-])C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)[O-])C#N)C(=O)C

InChI

InChI=1S/C11H10N2O3S/c1-6-9(7(2)14)3-8(4-12)11(13-6)17-5-10(15)16/h3H,5H2,1-2H3,(H,15,16)/p-1