2-(phenylmethylsulfanyl)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(phenylmethylsulfanyl)ethyl pyridine-3-carboxylate Openeye Name: 2-benzylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(phenylmethylthio)ethyl ester IUPAC Name: 2-benzylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(benzylthio)ethyl ester Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2S/c17-15(14-7-4-8-16-11-14)18-9-10-19-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2