3-(5-bromanylpyridin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(5-bromanylpyridin-2-yl)sulfanylpropanoate Openeye Name: 3-[(5-bromo-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(5-bromo-2-pyridinyl)thio]propanoate IUPAC Name: 3-(5-bromopyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(5-bromo-2-pyridyl)thio]propionate Formula: C8H7BrNO2S- MolecularWeight: 261.11568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Br)SCCC(=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1Br)SCCC(=O)[O-]

InChI

InChI=1S/C8H8BrNO2S/c9-6-1-2-7(10-5-6)13-4-3-8(11)12/h1-2,5H,3-4H2,(H,11,12)/p-1