methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H35N3O3S/c1-34-28(33)25-23(20-5-3-2-4-6-20)17-35-27(25)29-24(32)16-30-7-9-31(10-8-30)26-21-12-18-11-19(14-21)15-22(26)13-18/h2-6,17-19,21-22,26H,7-16H2,1H3,(H,29,32)