4-(1-pyridin-3-ylethylsulfanyl)butanoic acid

Systemtic Name: 4-(1-pyridin-3-ylethylsulfanyl)butanoic acid Openeye Name: 4-[1-(3-pyridyl)ethylsulfanyl]butanoic acid CAS Name: 4-[1-(3-pyridinyl)ethylthio]butanoic acid IUPAC Name: 4-(1-pyridin-3-ylethylsulfanyl)butanoic acid Traditional Name: 4-[1-(3-pyridyl)ethylthio]butyric acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)SCCCC(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)SCCCC(=O)O

InChI

InChI=1S/C11H15NO2S/c1-9(10-4-2-6-12-8-10)15-7-3-5-11(13)14/h2,4,6,8-9H,3,5,7H2,1H3,(H,13,14)