2,2-dimethyl-6-(4-phenylquinolin-2-yl)sulfanyl-hexanoic acid

Systemtic Name: 2,2-dimethyl-6-(4-phenylquinolin-2-yl)sulfanyl-hexanoic acid Openeye Name: 2,2-dimethyl-6-[(4-phenyl-2-quinolyl)sulfanyl]hexanoic acid CAS Name: 2,2-dimethyl-6-[(4-phenyl-2-quinolinyl)thio]hexanoic acid IUPAC Name: 2,2-dimethyl-6-(4-phenylquinolin-2-yl)sulfanylhexanoic acid Traditional Name: 2,2-dimethyl-6-[(4-phenyl-2-quinolyl)thio]hexanoic acid Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(CCCCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25NO2S/c1-23(2,22(25)26)14-8-9-15-27-21-16-19(17-10-4-3-5-11-17)18-12-6-7-13-20(18)24-21/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,25,26)