diethyl 3-methyl-5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]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)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

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