ethyl 3-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[2-(1-adamantyl)-2-oxo-ethoxy]benzothiophene-2-carboxylate CAS Name: 3-[2-(1-adamantyl)-2-oxoethoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(1-adamantyl)-2-oxoethoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(1-adamantyl)-2-keto-ethoxy]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26O4S/c1-2-26-22(25)21-20(17-5-3-4-6-18(17)28-21)27-13-19(24)23-10-14-7-15(11-23)9-16(8-14)12-23/h3-6,14-16H,2,7-13H2,1H3