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

Systemtic Name: methyl 2-[2-[4-(2-adamantyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-adamantyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-adamantyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5)C(=O)OC

InChI

InChI=1S/C23H33N3O3S/c1-14-7-19(23(28)29-2)22(30-14)24-20(27)13-25-3-5-26(6-4-25)21-17-9-15-8-16(11-17)12-18(21)10-15/h7,15-18,21H,3-6,8-13H2,1-2H3,(H,24,27)