ethanedioic acid; ethyl 2-[[2-(3-ethoxypropylamino)-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[[2-(3-ethoxypropylamino)-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-ethoxypropylamino)-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(3-ethoxypropylamino)-1-oxo-2-phenylethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(3-ethoxypropylamino)-2-phenylacetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(3-ethoxypropylamino)-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C28H32N2O8S MolecularWeight: 556.62728

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(C1=CC=CC=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOCCCNC(C1=CC=CC=C1)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N2O4S.C2H2O4/c1-3-31-17-11-16-27-23(20-14-9-6-10-15-20)24(29)28-25-22(26(30)32-4-2)21(18-33-25)19-12-7-5-8-13-19;3-1(4)2(5)6/h5-10,12-15,18,23,27H,3-4,11,16-17H2,1-2H3,(H,28,29);(H,3,4)(H,5,6)