diethyl 3-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-4-30-21(28)18-15(3)19(22(29)31-5-2)32-20(18)24-17(27)14-25-10-12-26(13-11-25)16-8-6-7-9-23-16/h6-9H,4-5,10-14H2,1-3H3,(H,24,27)