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2-pentylsulfanylethyl pyridine-3-carboxylate

2-pentylsulfanylethyl pyridine-3-carboxylate

Systemtic Name:2-pentylsulfanylethyl pyridine-3-carboxylate
Openeye Name:2-pentylsulfanylethyl pyridine-3-carboxylate
CAS Name:3-pyridinecarboxylic acid 2-(pentylthio)ethyl ester
IUPAC Name:2-pentylsulfanylethyl pyridine-3-carboxylate
Traditional Name:nicotinic acid 2-(amylthio)ethyl ester
Formula: C13H19NO2S
MolecularWeight: 253.36046
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCOC(=O)C1=CN=CC=C1


Isomeric SMILES

CCCCCSCCOC(=O)C1=CN=CC=C1


InChI

InChI=1S/C13H19NO2S/c1-2-3-4-9-17-10-8-16-13(15)12-6-5-7-14-11-12/h5-7,11H,2-4,8-10H2,1H3


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