ethanedioic acid; ethyl 4-phenyl-2-[2-(1-phenylethylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-phenyl-2-[2-(1-phenylethylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-(1-phenylethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-2-(1-phenylethylamino)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-(1-phenylethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-phenyl-2-[[2-(1-phenylethylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S.C2H2O4/c1-3-28-23(27)21-19(18-12-8-5-9-13-18)15-29-22(21)25-20(26)14-24-16(2)17-10-6-4-7-11-17;3-1(4)2(5)6/h4-13,15-16,24H,3,14H2,1-2H3,(H,25,26);(H,3,4)(H,5,6)