methyl 2,2-dimethyl-6-(4-phenylquinolin-2-yl)sulfanyl-hexanoate

Systemtic Name: methyl 2,2-dimethyl-6-(4-phenylquinolin-2-yl)sulfanyl-hexanoate Openeye Name: methyl 2,2-dimethyl-6-[(4-phenyl-2-quinolyl)sulfanyl]hexanoate CAS Name: 2,2-dimethyl-6-[(4-phenyl-2-quinolinyl)thio]hexanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-6-(4-phenylquinolin-2-yl)sulfanylhexanoate Traditional Name: 2,2-dimethyl-6-[(4-phenyl-2-quinolyl)thio]hexanoic acid methyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2S/c1-24(2,23(26)27-3)15-9-10-16-28-22-17-20(18-11-5-4-6-12-18)19-13-7-8-14-21(19)25-22/h4-8,11-14,17H,9-10,15-16H2,1-3H3