4-oxidanylidene-6-(phenylmethylsulfanyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-6-(phenylmethylsulfanyl)-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Openeye Name: 6-benzylsulfanyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid CAS Name: 4-oxo-6-(phenylmethylthio)-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 6-benzylsulfanyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Traditional Name: 6-(benzylthio)-4-keto-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Formula: C18H12F3NO3S MolecularWeight: 379.35299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C3C(=C2)C(=O)C(=CN3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C3C(=C2)C(=O)C(=CN3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H12F3NO3S/c19-18(20,21)13-7-14-11(16(23)12(8-22-14)17(24)25)6-15(13)26-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,22,23)(H,24,25)