[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [(1R)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C19H18F3NO3S MolecularWeight: 397.41133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H18F3NO3S/c1-13(26-17(24)11-12-27-16-5-3-2-4-6-16)18(25)23-15-9-7-14(8-10-15)19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)/t13-/m1/s1