pentyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: pentyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: pentyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid amyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)SC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCCCCOC(=O)C(C)SC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C16H22N2O2S/c1-5-6-7-8-20-16(19)13(4)21-15-14(10-17)11(2)9-12(3)18-15/h9,13H,5-8H2,1-4H3