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2-(pyridin-2-ylmethylsulfanyl)butanoate

2-(pyridin-2-ylmethylsulfanyl)butanoate

Systemtic Name:2-(pyridin-2-ylmethylsulfanyl)butanoate
Openeye Name:2-(2-pyridylmethylsulfanyl)butanoate
CAS Name:2-(2-pyridinylmethylthio)butanoate
IUPAC Name:2-(pyridin-2-ylmethylsulfanyl)butanoate
Traditional Name:2-(2-pyridylmethylthio)butyrate
Formula: C10H12NO2S-
MolecularWeight: 210.27278
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SCC1=CC=CC=N1


Isomeric SMILES

CCC(C(=O)[O-])SCC1=CC=CC=N1


InChI

InChI=1S/C10H13NO2S/c1-2-9(10(12)13)14-7-8-5-3-4-6-11-8/h3-6,9H,2,7H2,1H3,(H,12,13)/p-1


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