2-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]sulfanylpropanoic acid Openeye Name: 2-[4-[hydroxy(3-pyridyl)methyl]phenyl]sulfanylpropanoic acid CAS Name: 2-[[4-[hydroxy(3-pyridinyl)methyl]phenyl]thio]propanoic acid IUPAC Name: 2-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-[[4-[hydroxy(3-pyridyl)methyl]phenyl]thio]propionic acid Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=C(C=C1)C(C2=CN=CC=C2)O

Isomeric SMILES

CC(C(=O)O)SC1=CC=C(C=C1)C(C2=CN=CC=C2)O

InChI

InChI=1S/C15H15NO3S/c1-10(15(18)19)20-13-6-4-11(5-7-13)14(17)12-3-2-8-16-9-12/h2-10,14,17H,1H3,(H,18,19)