diethyl 5-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate; ethanedioic acid

Systemtic Name: diethyl 5-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate; ethanedioic acid Openeye Name: diethyl 5-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate; oxalic acid CAS Name: 5-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid IUPAC Name: diethyl 5-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate; oxalic acid Traditional Name: 5-[[2-(4-ethylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid Formula: C23H33N3O13S MolecularWeight: 591.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O5S.2C2H2O4/c1-5-21-8-10-22(11-9-21)12-14(23)20-17-15(18(24)26-6-2)13(4)16(28-17)19(25)27-7-3;2*3-1(4)2(5)6/h5-12H2,1-4H3,(H,20,23);2*(H,3,4)(H,5,6)