2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-methyl-propanoate

Systemtic Name: 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-2-methyl-propanoate Openeye Name: 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-2-methylpropanoate IUPAC Name: 2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]-2-methyl-propionate Formula: C11H11N2O2S- MolecularWeight: 235.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(C)(C)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(C)(C)C(=O)[O-]

InChI

InChI=1S/C11H12N2O2S/c1-7-4-5-8(6-12)9(13-7)16-11(2,3)10(14)15/h4-5H,1-3H3,(H,14,15)/p-1