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

Systemtic Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H16F3NO3S MolecularWeight: 395.39545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H16F3NO3S/c20-19(21,22)12-4-1-5-13(10-12)27-11-17(24)23-9-3-7-14-15(18(25)26)6-2-8-16(14)23/h1-2,4-6,8,10H,3,7,9,11H2,(H,25,26)