ethyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride

Systemtic Name: ethyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride Openeye Name: ethyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride CAS Name: 2-(phenethylthio)-3-pyridinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride Traditional Name: 2-(phenethylthio)nicotinic acid ethyl ester hydrochloride Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCCC2=CC=CC=C2.Cl

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H17NO2S.ClH/c1-2-19-16(18)14-9-6-11-17-15(14)20-12-10-13-7-4-3-5-8-13;/h3-9,11H,2,10,12H2,1H3;1H