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

Systemtic Name: 2-methyl-2-[4-[oxidanyl(pyridin-3-yl)methyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-[4-[hydroxy(3-pyridyl)methyl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[hydroxy(3-pyridinyl)methyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[hydroxy(pyridin-3-yl)methyl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[hydroxy(3-pyridyl)methyl]phenyl]thio]-2-methyl-propionic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3S/c1-16(2,15(19)20)21-13-7-5-11(6-8-13)14(18)12-4-3-9-17-10-12/h3-10,14,18H,1-2H3,(H,19,20)