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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H22F2N2O3S MolecularWeight: 396.451386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F2N2O3S/c20-18(21)27-16-14(2-1-3-22-16)17(25)26-10-15(24)23-19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,11-13,18H,4-10H2,(H,23,24)