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

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(S4)C(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(S4)C(=O)C

InChI

InChI=1S/C21H27NO4S/c1-12(23)17-3-4-18(27-17)20(25)26-11-19(24)22-13(2)21-8-14-5-15(9-21)7-16(6-14)10-21/h3-4,13-16H,5-11H2,1-2H3,(H,22,24)