[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] thiophene-2-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] thiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=CS4

InChI

InChI=1S/C18H22O3S/c1-11(21-17(20)15-3-2-4-22-15)16(19)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3