4-oxidanyl-2-pyridin-2-ylsulfanyl-pentanoic acid

Systemtic Name: 4-oxidanyl-2-pyridin-2-ylsulfanyl-pentanoic acid Openeye Name: 4-hydroxy-2-(2-pyridylsulfanyl)pentanoic acid CAS Name: 4-hydroxy-2-(2-pyridinylthio)pentanoic acid IUPAC Name: 4-hydroxy-2-pyridin-2-ylsulfanylpentanoic acid Traditional Name: 4-hydroxy-2-(2-pyridylthio)valeric acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)SC1=CC=CC=N1)O

Isomeric SMILES

CC(CC(C(=O)O)SC1=CC=CC=N1)O

InChI

InChI=1S/C10H13NO3S/c1-7(12)6-8(10(13)14)15-9-4-2-3-5-11-9/h2-5,7-8,12H,6H2,1H3,(H,13,14)