butyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride

Systemtic Name: butyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride Openeye Name: butyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride CAS Name: 2-(phenethylthio)-3-pyridinecarboxylic acid butyl ester hydrochloride IUPAC Name: butyl 2-phenethylsulfanylpyridine-3-carboxylate hydrochloride Traditional Name: 2-(phenethylthio)nicotinic acid butyl ester hydrochloride Formula: C18H22ClNO2S MolecularWeight: 351.89078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2S.ClH/c1-2-3-13-21-18(20)16-10-7-12-19-17(16)22-14-11-15-8-5-4-6-9-15;/h4-10,12H,2-3,11,13-14H2,1H3;1H