2-(3,6-dimethylpyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3,6-dimethylpyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[(3,6-dimethyl-2-pyridyl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3,6-dimethyl-2-pyridinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3,6-dimethylpyridin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3,6-dimethyl-2-pyridyl)thio]-2-phenyl-acetic acid Formula: C15H15NO2S MolecularWeight: 273.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C=C1)C)SC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(N=C(C=C1)C)SC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H15NO2S/c1-10-8-9-11(2)16-14(10)19-13(15(17)18)12-6-4-3-5-7-12/h3-9,13H,1-2H3,(H,17,18)