ethyl 6-pyridin-2-ylsulfanylhexanoate

Systemtic Name: ethyl 6-pyridin-2-ylsulfanylhexanoate Openeye Name: ethyl 6-(2-pyridylsulfanyl)hexanoate CAS Name: 6-(2-pyridinylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 6-pyridin-2-ylsulfanylhexanoate Traditional Name: 6-(2-pyridylthio)hexanoic acid ethyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=CC=CC=N1

Isomeric SMILES

CCOC(=O)CCCCCSC1=CC=CC=N1

InChI

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