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

Systemtic Name: 2-(3-cyano-5-ethoxycarbonyl-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-5-ethoxycarbonyl-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-carbethoxy-3-cyano-6-methyl-2-pyridyl)thio]acetate Formula: C12H11N2O4S- MolecularWeight: 279.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)[O-])C

InChI

InChI=1S/C12H12N2O4S/c1-3-18-12(17)9-4-8(5-13)11(14-7(9)2)19-6-10(15)16/h4H,3,6H2,1-2H3,(H,15,16)/p-1