methyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate

Systemtic Name: methyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate Openeye Name: methyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyric acid methyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCC(C(=O)OC)SC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C13H16N2O2S/c1-5-11(13(16)17-4)18-12-10(7-14)8(2)6-9(3)15-12/h6,11H,5H2,1-4H3