(2S)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate

Systemtic Name: (2S)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoate Openeye Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoate CAS Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoate IUPAC Name: (2S)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionate Formula: C11H11N2O2S- MolecularWeight: 235.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S[C@@H](C)C(=O)[O-])C

InChI

InChI=1S/C11H12N2O2S/c1-6-4-7(2)13-10(9(6)5-12)16-8(3)11(14)15/h4,8H,1-3H3,(H,14,15)/p-1/t8-/m0/s1