[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H23F2NO3S MolecularWeight: 395.463326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4SC(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4SC(F)F

InChI

InChI=1S/C20H23F2NO3S/c21-19(22)27-16-4-2-1-3-15(16)18(25)26-11-17(24)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14,19H,5-11H2,(H,23,24)