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

Systemtic Name: dimethyl 3-methyl-5-[3-(4-pyridin-2-ylcarbonylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]propyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(4-picolinoylpiperazino)propanoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C22H26N4O6S/c1-14-17(21(29)31-2)19(33-18(14)22(30)32-3)24-16(27)7-9-25-10-12-26(13-11-25)20(28)15-6-4-5-8-23-15/h4-6,8H,7,9-13H2,1-3H3,(H,24,27)