diethyl 3-methyl-5-[3-(3-morpholin-4-ylpropylamino)propanoylamino]thiophene-2,4-dicarboxylate; ethanedioic acid

Systemtic Name: diethyl 3-methyl-5-[3-(3-morpholin-4-ylpropylamino)propanoylamino]thiophene-2,4-dicarboxylate; ethanedioic acid Openeye Name: diethyl 3-methyl-5-[3-(3-morpholinopropylamino)propanoylamino]thiophene-2,4-dicarboxylate; oxalic acid CAS Name: 3-methyl-5-[[3-[3-(4-morpholinyl)propylamino]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid IUPAC Name: diethyl 3-methyl-5-[3-(3-morpholin-4-ylpropylamino)propanoylamino]thiophene-2,4-dicarboxylate; oxalic acid Traditional Name: 3-methyl-5-[3-(3-morpholinopropylamino)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid Formula: C25H37N3O14S MolecularWeight: 635.63798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCNCCCN2CCOCC2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCNCCCN2CCOCC2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H33N3O6S.2C2H2O4/c1-4-29-20(26)17-15(3)18(21(27)30-5-2)31-19(17)23-16(25)7-9-22-8-6-10-24-11-13-28-14-12-24;2*3-1(4)2(5)6/h22H,4-14H2,1-3H3,(H,23,25);2*(H,3,4)(H,5,6)