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

Systemtic Name: 2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]acetate Formula: C11H11N2O2S- MolecularWeight: 235.28224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)[O-])C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)[O-])C#N)C

InChI

InChI=1S/C11H12N2O2S/c1-3-9-7(2)4-8(5-12)11(13-9)16-6-10(14)15/h4H,3,6H2,1-2H3,(H,14,15)/p-1