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

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C18H16F3NO4S MolecularWeight: 399.38415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO4S/c1-11(16(23)22-13-5-7-14(25-2)8-6-13)26-17(24)12-3-9-15(10-4-12)27-18(19,20)21/h3-11H,1-2H3,(H,22,23)/t11-/m0/s1