[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H33NO5S/c1-18(30)29-10-9-23-7-8-25(35-23)24(31)16-34-26(32)28-14-19-11-20(15-28)13-27(12-19,17-28)21-3-5-22(33-2)6-4-21/h3-8,19-20H,9-17H2,1-2H3,(H,29,30)