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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H26N4O4S/c1-4-29-21(28)18-14(2)19(15(3)26)30-20(18)23-17(27)13-24-9-11-25(12-10-24)16-7-5-6-8-22-16/h5-8H,4,9-13H2,1-3H3,(H,23,27)