[2-(1-adamantyl)-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

InChI

InChI=1S/C22H26O3S/c1-13-2-3-17-8-19(26-18(17)4-13)21(24)25-12-20(23)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,14-16,19H,5-12H2,1H3