2-pyridin-3-ylthiane-3-carboxylic acid

Systemtic Name: 2-pyridin-3-ylthiane-3-carboxylic acid Openeye Name: 2-(3-pyridyl)tetrahydrothiopyran-3-carboxylic acid CAS Name: 2-(3-pyridinyl)-3-thianecarboxylic acid IUPAC Name: 2-pyridin-3-ylthiane-3-carboxylic acid Traditional Name: 2-(3-pyridyl)tetrahydrothiopyran-3-carboxylic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(SC1)C2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1CC(C(SC1)C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C11H13NO2S/c13-11(14)9-4-2-6-15-10(9)8-3-1-5-12-7-8/h1,3,5,7,9-10H,2,4,6H2,(H,13,14)