[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H25FO4S MolecularWeight: 416.505603

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H25FO4S/c1-27-11-16-20-17(24)3-2-4-18(20)29-21(16)22(26)28-12-19(25)23-8-13-5-14(9-23)7-15(6-13)10-23/h2-4,13-15H,5-12H2,1H3