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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(oxolan-2-ylmethylamino)ethanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-phenylphenyl)-2-[[2-(tetrahydrofuran-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-2-(2-oxolanylmethylamino)ethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]-4-(4-phenylphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-(4-phenylphenyl)-2-[[2-(tetrahydrofurfurylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H30N2O8S MolecularWeight: 554.6114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCC4CCCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CNCC4CCCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O4S.C2H2O4/c1-2-31-26(30)24-22(20-12-10-19(11-13-20)18-7-4-3-5-8-18)17-33-25(24)28-23(29)16-27-15-21-9-6-14-32-21;3-1(4)2(5)6/h3-5,7-8,10-13,17,21,27H,2,6,9,14-16H2,1H3,(H,28,29);(H,3,4)(H,5,6)