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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)OCCC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(C)C(=O)OCCC(C)C)C

InChI

InChI=1S/C16H22N2O2S/c1-10(2)6-7-20-16(19)13(5)21-15-14(9-17)11(3)8-12(4)18-15/h8,10,13H,6-7H2,1-5H3