2-(5-chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 2-(5-chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoic acid Openeye Name: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoic acid CAS Name: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanoic acid IUPAC Name: 2-(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic acid Formula: C11H11ClN2O2S MolecularWeight: 270.73524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SC(C)C(=O)O)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SC(C)C(=O)O)C#N

InChI

InChI=1S/C11H11ClN2O2S/c1-5-8(4-13)10(14-6(2)9(5)12)17-7(3)11(15)16/h7H,1-3H3,(H,15,16)