ethyl 4-[2-(3-bromanyl-1-adamantyl)ethanoyloxymethyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[2-(3-bromanyl-1-adamantyl)ethanoyloxymethyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[[2-(3-bromo-1-adamantyl)acetyl]oxymethyl]thiazole-2-carboxylate CAS Name: 4-[[2-(3-bromo-1-adamantyl)-1-oxoethoxy]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-bromo-1-adamantyl)acetyl]oxymethyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[2-(3-bromo-1-adamantyl)acetyl]oxymethyl]thiazole-2-carboxylic acid ethyl ester Formula: C19H24BrNO4S MolecularWeight: 442.36716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H24BrNO4S/c1-2-24-17(23)16-21-14(10-26-16)9-25-15(22)8-18-4-12-3-13(5-18)7-19(20,6-12)11-18/h10,12-13H,2-9,11H2,1H3