ethanedioic acid; ethyl 5,5,7,7-tetramethyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5,5,7,7-tetramethyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 5,5,7,7-tetramethyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate; oxalic acid CAS Name: oxalic acid; 5,5,7,7-tetramethyl-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5,7,7-tetramethyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 5,5,7,7-tetramethyl-2-[[2-(4-methylpiperazino)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C23H36N4O7S MolecularWeight: 512.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(NC2(C)C)(C)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N4O3S.C2H2O4/c1-7-28-19(27)16-14-12-20(2,3)23-21(4,5)17(14)29-18(16)22-15(26)13-25-10-8-24(6)9-11-25;3-1(4)2(5)6/h23H,7-13H2,1-6H3,(H,22,26);(H,3,4)(H,5,6)