ethanedioic acid; ethyl 2-[2-(3-morpholin-4-ylpropylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(3-morpholin-4-ylpropylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-morpholinopropylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-[3-(4-morpholinyl)propylamino]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[2-(3-morpholin-4-ylpropylamino)propanoylamino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[2-(3-morpholinopropylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C25H33N3O8S MolecularWeight: 535.60982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)NCCCN3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)NCCCN3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O4S.C2H2O4/c1-3-30-23(28)20-19(18-8-5-4-6-9-18)16-31-22(20)25-21(27)17(2)24-10-7-11-26-12-14-29-15-13-26;3-1(4)2(5)6/h4-6,8-9,16-17,24H,3,7,10-15H2,1-2H3,(H,25,27);(H,3,4)(H,5,6)