[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C19H18F3NO4S MolecularWeight: 413.41073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C19H18F3NO4S/c1-12(17(24)23-11-13-3-7-15(26-2)8-4-13)27-18(25)14-5-9-16(10-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)/t12-/m0/s1