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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H28N4O3S/c1-4-16-15(3)29-20(19(16)21(27)28-5-2)23-18(26)14-24-10-12-25(13-11-24)17-8-6-7-9-22-17/h6-9H,4-5,10-14H2,1-3H3,(H,23,26)