[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H24F2N2O3S MolecularWeight: 410.477966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(N=CC=C4)SC(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=C(N=CC=C4)SC(F)F

InChI

InChI=1S/C20H24F2N2O3S/c21-19(22)28-17-15(2-1-3-23-17)18(26)27-10-16(25)24-11-20-7-12-4-13(8-20)6-14(5-12)9-20/h1-3,12-14,19H,4-11H2,(H,24,25)