[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C19H16F3NO4S MolecularWeight: 411.39485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H16F3NO4S/c20-19(21,22)14-6-4-5-13(11-14)18(26)27-12-17(25)23-16(24)9-10-28-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,23,24,25)