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

Systemtic Name: methyl 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)OC)C#N)C(=O)C

InChI

InChI=1S/C12H12N2O3S/c1-7-10(8(2)15)4-9(5-13)12(14-7)18-6-11(16)17-3/h4H,6H2,1-3H3