[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 4-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 4-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-(difluoromethylsulfanyl)benzoate CAS Name: 4-(difluoromethylthio)benzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-(difluoromethylsulfanyl)benzoate Traditional Name: 4-(difluoromethylthio)benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C18H17F2NO4S MolecularWeight: 381.393686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C18H17F2NO4S/c19-18(20)26-15-8-6-13(7-9-15)17(23)25-12-16(22)21-10-11-24-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,22)