ethanedioic acid; ethyl 2-[2-(furan-2-ylmethylamino)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(furan-2-ylmethylamino)ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-furylmethylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(2-furanylmethylamino)-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(furan-2-ylmethylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(2-furfurylamino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H24N2O9S MolecularWeight: 504.50966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CNCC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CNCC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O5S.C2H2O4/c1-3-27-21(25)19-17(14-6-8-15(26-2)9-7-14)13-29-20(19)23-18(24)12-22-11-16-5-4-10-28-16;3-1(4)2(5)6/h4-10,13,22H,3,11-12H2,1-2H3,(H,23,24);(H,3,4)(H,5,6)