tert-butyl 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]acetic acid tert-butyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C13H16N2O2S/c1-9-5-6-10(7-14)12(15-9)18-8-11(16)17-13(2,3)4/h5-6H,8H2,1-4H3