propyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: propyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: propyl 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid propyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC(=C(C(=C1C#N)C)C)C

Isomeric SMILES

CCCOC(=O)CSC1=NC(=C(C(=C1C#N)C)C)C

InChI

InChI=1S/C14H18N2O2S/c1-5-6-18-13(17)8-19-14-12(7-15)10(3)9(2)11(4)16-14/h5-6,8H2,1-4H3