[2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[4-(difluoromethylthio)anilino]-2-keto-ethyl] ester Formula: C20H22BrF2NO3S MolecularWeight: 474.359386

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C20H22BrF2NO3S/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)17(26)27-10-16(25)24-14-1-3-15(4-2-14)28-18(22)23/h1-4,12-13,18H,5-11H2,(H,24,25)