2-[1-methyl-8-methylsulfinyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanoate

Systemtic Name: 2-[1-methyl-8-methylsulfinyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanoate Openeye Name: 2-[1-methyl-8-methylsulfinyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetate CAS Name: 2-[1-methyl-8-methylsulfinyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetate IUPAC Name: 2-[1-methyl-8-methylsulfinyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetate Traditional Name: 2-[1-methyl-8-methylsulfinyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetate Formula: C14H15F3NO3S- MolecularWeight: 334.33401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC2=CC(=CC(=C21)S(=O)C)CC(=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(CCC2=CC(=CC(=C21)S(=O)C)CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H16F3NO3S/c1-18-11(14(15,16)17)4-3-9-5-8(7-12(19)20)6-10(13(9)18)22(2)21/h5-6,11H,3-4,7H2,1-2H3,(H,19,20)/p-1