2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-2-methyl-propionic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)(C)C(=O)O

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SC(C)(C)C(=O)O

InChI

InChI=1S/C14H18N2O2S/c1-9(2)7-11-6-5-10(8-15)12(16-11)19-14(3,4)13(17)18/h5-6,9H,7H2,1-4H3,(H,17,18)