ethanedioic acid; ethyl 5-phenyl-2-[2-[(phenylmethyl)amino]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-phenyl-2-[2-[(phenylmethyl)amino]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(benzylamino)propanoylamino]-5-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-2-[(phenylmethyl)amino]propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzylamino)propanoylamino]-5-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[2-(benzylamino)propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)NCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)NCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

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