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

Systemtic Name: methyl 1-[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[2-(difluoromethylsulfanyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[[2-(difluoromethylthio)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-(difluoromethylsulfanyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[2-(difluoromethylthio)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C19H17F2NO3S MolecularWeight: 377.404986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC=CC=C3SC(F)F

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC=CC=C3SC(F)F

InChI

InChI=1S/C19H17F2NO3S/c1-25-18(24)13-7-4-9-15-12(13)8-5-11-22(15)17(23)14-6-2-3-10-16(14)26-19(20)21/h2-4,6-7,9-10,19H,5,8,11H2,1H3