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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

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