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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H21F2NO3S MolecularWeight: 381.436746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F2NO3S/c20-18(21)26-16-14(2-1-3-22-16)17(24)25-10-15(23)19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,11-13,18H,4-10H2