2-butylsulfanylethyl pyridine-3-carboxylate

Systemtic Name: 2-butylsulfanylethyl pyridine-3-carboxylate Openeye Name: 2-butylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(butylthio)ethyl ester IUPAC Name: 2-butylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(butylthio)ethyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCSCCOC(=O)C1=CN=CC=C1

InChI

InChI=1S/C12H17NO2S/c1-2-3-8-16-9-7-15-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3