2-[methyl-[2-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-[2-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-amino]ethanoic acid Openeye Name: 2-[[2-isopropyl-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[methyl-[[2-propan-2-yl-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[methyl-[2-propan-2-yl-8-(trifluoromethyl)quinoline-4-carbothioyl]amino]acetic acid Traditional Name: 2-[[2-isopropyl-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C17H17F3N2O2S MolecularWeight: 370.38929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)C(=S)N(C)CC(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C17H17F3N2O2S/c1-9(2)13-7-11(16(25)22(3)8-14(23)24)10-5-4-6-12(15(10)21-13)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,23,24)