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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C19H17F2NO5S MolecularWeight: 409.403786

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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)OC(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2NO5S/c20-19(21)27-14-8-6-13(7-9-14)18(25)26-12-17(24)22-16(23)10-11-28-15-4-2-1-3-5-15/h1-9,19H,10-12H2,(H,22,23,24)