[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)benzoate CAS Name: 2-(difluoromethylthio)benzoic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)benzoate Traditional Name: 2-(difluoromethylthio)benzoic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C21H17F2NO3S MolecularWeight: 401.426386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3SC(F)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3SC(F)F

InChI

InChI=1S/C21H17F2NO3S/c1-13(27-20(26)16-10-4-5-12-18(16)28-21(22)23)19(25)24-17-11-6-8-14-7-2-3-9-15(14)17/h2-13,21H,1H3,(H,24,25)