[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C19H17F2NO6S2 MolecularWeight: 457.468186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2NO6S2/c20-19(21)30(26,27)15-8-6-13(7-9-15)18(25)28-12-17(24)22-16(23)10-11-29-14-4-2-1-3-5-14/h1-9,19H,10-12H2,(H,22,23,24)