3-(2-pyridin-4-ylethylsulfanyl)propanoic acid

Systemtic Name: 3-(2-pyridin-4-ylethylsulfanyl)propanoic acid Openeye Name: 3-[2-(4-pyridyl)ethylsulfanyl]propanoic acid CAS Name: 3-(2-pyridin-4-ylethylthio)propanoic acid IUPAC Name: 3-(2-pyridin-4-ylethylsulfanyl)propanoic acid Traditional Name: 3-[2-(4-pyridyl)ethylthio]propionic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCSCCC(=O)O

Isomeric SMILES

C1=CN=CC=C1CCSCCC(=O)O

InChI

InChI=1S/C10H13NO2S/c12-10(13)4-8-14-7-3-9-1-5-11-6-2-9/h1-2,5-6H,3-4,7-8H2,(H,12,13)