[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H18F3NO3S MolecularWeight: 397.41133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C19H18F3NO3S/c1-13(17(24)23-12-11-14-5-3-2-4-6-14)26-18(25)15-7-9-16(10-8-15)27-19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,24)