4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-2-carboxylic acid

Systemtic Name: 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-2-carboxylic acid Openeye Name: 4-thioxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylic acid CAS Name: 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-2-carboxylic acid IUPAC Name: 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-2-carboxylic acid Traditional Name: 4-thioxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylic acid Formula: C11H6F3NO2S MolecularWeight: 273.23105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC(=CC2=S)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=CC2=S)C(=O)O

InChI

InChI=1S/C11H6F3NO2S/c12-11(13,14)5-1-2-6-7(3-5)15-8(10(16)17)4-9(6)18/h1-4H,(H,15,18)(H,16,17)