1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: 1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: 1-[2-(difluoromethylsulfanyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[[2-(difluoromethylthio)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylate IUPAC Name: 1-[2-(difluoromethylsulfanyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[2-(difluoromethylthio)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Formula: C18H14F2NO3S- MolecularWeight: 362.370466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=CC=C3SC(F)F)C(=O)[O-]

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=CC=C3SC(F)F)C(=O)[O-]

InChI

InChI=1S/C18H15F2NO3S/c19-18(20)25-15-9-2-1-5-13(15)16(22)21-10-4-7-11-12(17(23)24)6-3-8-14(11)21/h1-3,5-6,8-9,18H,4,7,10H2,(H,23,24)/p-1