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

Systemtic Name: tert-butyl 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid tert-butyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2S/c1-9-10(2)12(7-16)14(17-11(9)3)20-8-13(18)19-15(4,5)6/h8H2,1-6H3