[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C21H22O3S/c22-19(21-9-13-5-14(10-21)7-15(6-13)11-21)12-24-20(23)18-8-16-3-1-2-4-17(16)25-18/h1-4,8,13-15H,5-7,9-12H2