[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H14F3NO3S2 MolecularWeight: 389.41247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C16H14F3NO3S2/c1-10(14(21)20-9-13-3-2-8-24-13)23-15(22)11-4-6-12(7-5-11)25-16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1