2-phenylsulfanylethyl pyridine-3-carboxylate

Systemtic Name: 2-phenylsulfanylethyl pyridine-3-carboxylate Openeye Name: 2-phenylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(phenylthio)ethyl ester Formula: C14H13NO2S MolecularWeight: 259.32352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2S/c16-14(12-5-4-8-15-11-12)17-9-10-18-13-6-2-1-3-7-13/h1-8,11H,9-10H2