2-(phenylmethyl)-3-pyridin-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-pyridin-2-ylsulfanyl-propanoic acid Openeye Name: 2-benzyl-3-(2-pyridylsulfanyl)propanoic acid CAS Name: 2-(phenylmethyl)-3-(2-pyridinylthio)propanoic acid IUPAC Name: 2-benzyl-3-pyridin-2-ylsulfanylpropanoic acid Traditional Name: 2-benzyl-3-(2-pyridylthio)propionic acid Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2=CC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C15H15NO2S/c17-15(18)13(10-12-6-2-1-3-7-12)11-19-14-8-4-5-9-16-14/h1-9,13H,10-11H2,(H,17,18)