2-[8-methylsulfanyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanoic acid

Systemtic Name: 2-[8-methylsulfanyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]ethanoic acid Openeye Name: 2-[8-methylsulfanyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid CAS Name: 2-[8-(methylthio)-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid IUPAC Name: 2-[8-methylsulfanyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid Traditional Name: 2-[8-(methylthio)-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid Formula: C13H14F3NO2S MolecularWeight: 305.31597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=CC(=C1)CC(=O)O)CCC(N2)C(F)(F)F

Isomeric SMILES

CSC1=C2C(=CC(=C1)CC(=O)O)CCC(N2)C(F)(F)F

InChI

InChI=1S/C13H14F3NO2S/c1-20-9-5-7(6-11(18)19)4-8-2-3-10(13(14,15)16)17-12(8)9/h4-5,10,17H,2-3,6H2,1H3,(H,18,19)