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

Systemtic Name: ethanedioic acid; ethyl 4-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-methylphenyl)-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-methylpiperazino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C25H31N3O11S MolecularWeight: 581.59214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O3S.2C2H2O4/c1-4-27-21(26)19-17(16-7-5-15(2)6-8-16)14-28-20(19)22-18(25)13-24-11-9-23(3)10-12-24;2*3-1(4)2(5)6/h5-8,14H,4,9-13H2,1-3H3,(H,22,25);2*(H,3,4)(H,5,6)