1-[4-(trifluoromethylsulfanyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-(trifluoromethylsulfanyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(trifluoromethylsulfanyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[oxo-[4-(trifluoromethylthio)phenyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(trifluoromethylsulfanyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(trifluoromethylthio)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H14F3NO3S MolecularWeight: 381.36887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)SC(F)(F)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)SC(F)(F)F)C(=O)O

InChI

InChI=1S/C18H14F3NO3S/c19-18(20,21)26-12-8-6-11(7-9-12)16(23)22-10-2-4-13-14(17(24)25)3-1-5-15(13)22/h1,3,5-9H,2,4,10H2,(H,24,25)