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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[[2-(4-isobutylpiperazin-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[4-(2-methylpropyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-[4-(2-methylpropyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(4-isobutylpiperazino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)CC(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)CC(C)C)C

InChI

InChI=1S/C20H33N3O3S/c1-6-16-15(5)27-19(18(16)20(25)26-7-2)21-17(24)13-23-10-8-22(9-11-23)12-14(3)4/h14H,6-13H2,1-5H3,(H,21,24)