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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)OC(C)(C)C)C

InChI

InChI=1S/C14H18N2O2S/c1-9-6-10(2)16-13(11(9)7-15)19-8-12(17)18-14(3,4)5/h6H,8H2,1-5H3