methyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride

Systemtic Name: methyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride Openeye Name: methyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride CAS Name: 2-(phenethylthio)-3-pyridinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride Traditional Name: 2-(phenethylthio)nicotinic acid methyl ester hydrochloride Formula: C15H16ClNO2S MolecularWeight: 309.81104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2S.ClH/c1-18-15(17)13-8-5-10-16-14(13)19-11-9-12-6-3-2-4-7-12;/h2-8,10H,9,11H2,1H3;1H