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

Systemtic Name: methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C29H37N3O4S/c1-35-23-5-3-20(4-6-23)24-17-37-28(26(24)29(34)36-2)30-25(33)16-31-7-9-32(10-8-31)27-21-12-18-11-19(14-21)15-22(27)13-18/h3-6,17-19,21-22,27H,7-16H2,1-2H3,(H,30,33)