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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23F2N3O4S MolecularWeight: 439.476126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F2N3O4S/c21-18(22)30-16-14(2-1-3-23-16)17(27)29-10-15(26)24-19(28)25-20-7-11-4-12(8-20)6-13(5-11)9-20/h1-3,11-13,18H,4-10H2,(H2,24,25,26,28)