[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26O5S/c26-23(25-11-15-7-16(12-25)9-17(8-15)13-25)14-30-24(27)22-4-3-21(31-22)18-1-2-19-20(10-18)29-6-5-28-19/h1-4,10,15-17H,5-9,11-14H2