ethyl 2-pyridin-3-ylthiane-2-carboxylate

Systemtic Name: ethyl 2-pyridin-3-ylthiane-2-carboxylate Openeye Name: ethyl 2-(3-pyridyl)tetrahydrothiopyran-2-carboxylate CAS Name: 2-(3-pyridinyl)-2-thianecarboxylic acid ethyl ester IUPAC Name: ethyl 2-pyridin-3-ylthiane-2-carboxylate Traditional Name: 2-(3-pyridyl)tetrahydrothiopyran-2-carboxylic acid ethyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCS1)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCCCS1)C2=CN=CC=C2

InChI

InChI=1S/C13H17NO2S/c1-2-16-12(15)13(7-3-4-9-17-13)11-6-5-8-14-10-11/h5-6,8,10H,2-4,7,9H2,1H3