[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H22O4S/c1-11(20)15-2-3-16(24-15)18(22)23-10-17(21)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,12-14H,4-10H2,1H3