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

Systemtic Name: 2-[[2-cyclopropyl-8-(trifluoromethyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-cyclopropyl-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-cyclopropyl-8-(trifluoromethyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-cyclopropyl-8-(trifluoromethyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-cyclopropyl-8-(trifluoromethyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C17H15F3N2O2S MolecularWeight: 368.37341

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3CC3

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C3CC3

InChI

InChI=1S/C17H15F3N2O2S/c1-22(8-14(23)24)16(25)11-7-13(9-5-6-9)21-15-10(11)3-2-4-12(15)17(18,19)20/h2-4,7,9H,5-6,8H2,1H3,(H,23,24)