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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-morpholinopropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-[3-(4-morpholinyl)propylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(3-morpholinopropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C26H33N3O12S MolecularWeight: 611.61812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCN3CCOCC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCN3CCOCC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O4S.2C2H2O4/c1-2-29-22(27)20-18(17-7-4-3-5-8-17)16-30-21(20)24-19(26)15-23-9-6-10-25-11-13-28-14-12-25;2*3-1(4)2(5)6/h3-5,7-8,16,23H,2,6,9-15H2,1H3,(H,24,26);2*(H,3,4)(H,5,6)