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

Systemtic Name: ethanedioic acid; ethyl 4-(4-tert-butylphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-tert-butylphenyl)-2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-tert-butylphenyl)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4-(4-tert-butylphenyl)-2-[[2-(4-ethylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C29H39N3O11S MolecularWeight: 637.69846

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35N3O3S.2C2H2O4/c1-6-27-12-14-28(15-13-27)16-21(29)26-23-22(24(30)31-7-2)20(17-32-23)18-8-10-19(11-9-18)25(3,4)5;2*3-1(4)2(5)6/h8-11,17H,6-7,12-16H2,1-5H3,(H,26,29);2*(H,3,4)(H,5,6)