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

Systemtic Name: ethanedioic acid; ethyl 2-[2-[(4-methoxycarbonylphenyl)methylamino]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-methoxycarbonylphenyl)methylamino]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-[(4-methoxycarbonylphenyl)methylamino]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-[(4-methoxycarbonylphenyl)methylamino]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-[(4-carbomethoxybenzyl)amino]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H24N2O9S2 MolecularWeight: 548.58536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CNCC3=CC=C(C=C3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CNCC3=CC=C(C=C3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N2O5S2.C2H2O4/c1-3-29-22(27)19-16(17-5-4-10-30-17)13-31-20(19)24-18(25)12-23-11-14-6-8-15(9-7-14)21(26)28-2;3-1(4)2(5)6/h4-10,13,23H,3,11-12H2,1-2H3,(H,24,25);(H,3,4)(H,5,6)