4-(pyridin-2-ylmethylsulfanyl)butanoic acid

Systemtic Name: 4-(pyridin-2-ylmethylsulfanyl)butanoic acid Openeye Name: 4-(2-pyridylmethylsulfanyl)butanoic acid CAS Name: 4-(2-pyridinylmethylthio)butanoic acid IUPAC Name: 4-(pyridin-2-ylmethylsulfanyl)butanoic acid Traditional Name: 4-(2-pyridylmethylthio)butyric acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSCCCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CSCCCC(=O)O

InChI

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