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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C20H24N4O5S/c1-13-16(19(26)28-2)18(30-17(13)20(27)29-3)22-15(25)12-23-8-10-24(11-9-23)14-6-4-5-7-21-14/h4-7H,8-12H2,1-3H3,(H,22,25)