2-(pyridin-3-ylmethylsulfanyl)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(pyridin-3-ylmethylsulfanyl)ethyl pyridine-3-carboxylate Openeye Name: 2-(3-pyridylmethylsulfanyl)ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(3-pyridinylmethylthio)ethyl ester IUPAC Name: 2-(pyridin-3-ylmethylsulfanyl)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(3-pyridylmethylthio)ethyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSCCOC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CSCCOC(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H14N2O2S/c17-14(13-4-2-6-16-10-13)18-7-8-19-11-12-3-1-5-15-9-12/h1-6,9-10H,7-8,11H2