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

Systemtic Name: ethyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O3S/c1-2-35-29(34)26-24(21-6-4-3-5-7-21)18-36-28(26)30-25(33)17-31-8-10-32(11-9-31)27-22-13-19-12-20(15-22)16-23(27)14-19/h3-7,18-20,22-23,27H,2,8-17H2,1H3,(H,30,33)