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

Systemtic Name: ethanedioic acid; ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(4-ethyl-1-piperazinyl)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-5-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[3-(4-ethylpiperazino)propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C26H33N3O11S MolecularWeight: 595.61872

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O3S.2C2H2O4/c1-3-24-12-14-25(15-13-24)11-10-20(26)23-21-18(22(27)28-4-2)16-19(29-21)17-8-6-5-7-9-17;2*3-1(4)2(5)6/h5-9,16H,3-4,10-15H2,1-2H3,(H,23,26);2*(H,3,4)(H,5,6)