ethyl 4-fluoranyl-3-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[2-(3-oxidanyl-1-adamantyl)ethanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[2-(3-hydroxy-1-adamantyl)-1-oxoethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[2-(3-hydroxy-1-adamantyl)acetyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C24H27FO5S MolecularWeight: 446.531583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C24H27FO5S/c1-2-29-22(27)21-16(20-17(25)4-3-5-18(20)31-21)12-30-19(26)11-23-7-14-6-15(8-23)10-24(28,9-14)13-23/h3-5,14-15,28H,2,6-13H2,1H3