2-hexylsulfanylethyl pyridine-3-carboxylate

Systemtic Name: 2-hexylsulfanylethyl pyridine-3-carboxylate Openeye Name: 2-hexylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(hexylthio)ethyl ester IUPAC Name: 2-hexylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(hexylthio)ethyl ester Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCOC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCCCSCCOC(=O)C1=CN=CC=C1

InChI

InChI=1S/C14H21NO2S/c1-2-3-4-5-10-18-11-9-17-14(16)13-7-6-8-15-12-13/h6-8,12H,2-5,9-11H2,1H3