ethanedioic acid; ethyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-ethylpiperazino)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H31N3O12S MolecularWeight: 585.58084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(O3)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(=CS2)C3=CC=C(O3)C)C(=O)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O4S.2C2H2O4/c1-4-22-8-10-23(11-9-22)12-17(24)21-19-18(20(25)26-5-2)15(13-28-19)16-7-6-14(3)27-16;2*3-1(4)2(5)6/h6-7,13H,4-5,8-12H2,1-3H3,(H,21,24);2*(H,3,4)(H,5,6)