O4-ethyl O2-methyl 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-[[2-[4-(2-pyridylmethyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazinyl]ethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-pyridylmethyl)piperazino]acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O5S/c1-4-31-21(28)18-15(2)19(22(29)30-3)32-20(18)24-17(27)14-26-11-9-25(10-12-26)13-16-7-5-6-8-23-16/h5-8H,4,9-14H2,1-3H3,(H,24,27)