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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC(C1)(C2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1CCSC(C1)(C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C11H13NO2S/c13-10(14)11(5-1-2-7-15-11)9-4-3-6-12-8-9/h3-4,6,8H,1-2,5,7H2,(H,13,14)