2-phenethylsulfanylethyl pyridine-3-carboxylate

Systemtic Name: 2-phenethylsulfanylethyl pyridine-3-carboxylate Openeye Name: 2-phenethylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(phenethylthio)ethyl ester IUPAC Name: 2-phenethylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(phenethylthio)ethyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c18-16(15-7-4-9-17-13-15)19-10-12-20-11-8-14-5-2-1-3-6-14/h1-7,9,13H,8,10-12H2