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

Systemtic Name: methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H31N3O3S/c1-28-22(27)18-2-7-29-21(18)23-19(26)13-24-3-5-25(6-4-24)20-16-9-14-8-15(11-16)12-17(20)10-14/h2,7,14-17,20H,3-6,8-13H2,1H3,(H,23,26)