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3-(pyridin-3-ylmethylsulfanyl)propanoate

3-(pyridin-3-ylmethylsulfanyl)propanoate

Systemtic Name:3-(pyridin-3-ylmethylsulfanyl)propanoate
Openeye Name:3-(3-pyridylmethylsulfanyl)propanoate
CAS Name:3-(3-pyridinylmethylthio)propanoate
IUPAC Name:3-(pyridin-3-ylmethylsulfanyl)propanoate
Traditional Name:3-(3-pyridylmethylthio)propionate
Formula: C9H10NO2S-
MolecularWeight: 196.2462
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSCCC(=O)[O-]


Isomeric SMILES

C1=CC(=CN=C1)CSCCC(=O)[O-]


InChI

InChI=1S/C9H11NO2S/c11-9(12)3-5-13-7-8-2-1-4-10-6-8/h1-2,4,6H,3,5,7H2,(H,11,12)/p-1


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