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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-ethylpiperazino)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H29N3O11S2 MolecularWeight: 587.61986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)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=CS3)C(=O)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3O3S2.2C2H2O4/c1-3-21-7-9-22(10-8-21)12-16(23)20-18-17(19(24)25-4-2)14(13-27-18)15-6-5-11-26-15;2*3-1(4)2(5)6/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,23);2*(H,3,4)(H,5,6)