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

Systemtic Name: ethanedioic acid; ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(4-ethyl-1-piperazinyl)-1-oxopropyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[3-(4-ethylpiperazino)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C27H35N3O12S MolecularWeight: 625.6447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S.2C2H2O4/c1-4-25-12-14-26(15-13-25)11-10-20(27)24-22-21(23(28)30-5-2)19(16-31-22)17-6-8-18(29-3)9-7-17;2*3-1(4)2(5)6/h6-9,16H,4-5,10-15H2,1-3H3,(H,24,27);2*(H,3,4)(H,5,6)