dimethyl 5-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

InChI

InChI=1S/C25H35N3O5S/c1-14-20(24(30)32-2)23(34-22(14)25(31)33-3)26-19(29)13-27-4-6-28(7-5-27)21-17-9-15-8-16(11-17)12-18(21)10-15/h15-18,21H,4-13H2,1-3H3,(H,26,29)