butyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: butyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid butyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C14H18N2O2S/c1-4-5-6-18-13(17)9-19-14-12(8-15)10(2)7-11(3)16-14/h7H,4-6,9H2,1-3H3