tert-butyl 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetic acid tert-butyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)OC(C)(C)C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)OC(C)(C)C)C#N)C(=O)C

InChI

InChI=1S/C15H18N2O3S/c1-9-12(10(2)18)6-11(7-16)14(17-9)21-8-13(19)20-15(3,4)5/h6H,8H2,1-5H3