(6S)-6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Systemtic Name: (6S)-6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Openeye Name: (6S)-6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid CAS Name: (6S)-6-tert-butyl-2-(methylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid IUPAC Name: (6S)-6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Traditional Name: (6S)-6-tert-butyl-2-(methylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Formula: C16H20F3NO2S MolecularWeight: 347.39571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SC)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C(=C(C(=N2)SC)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H20F3NO2S/c1-15(2,3)8-5-6-10-9(7-8)12(16(17,18)19)11(14(21)22)13(20-10)23-4/h8H,5-7H2,1-4H3,(H,21,22)/t8-/m0/s1