ethanedioic acid; ethyl 4,5-dimethyl-2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4,5-dimethyl-2-[2-(3-morpholin-4-ylpropylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-morpholinopropylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 4,5-dimethyl-2-[[2-[3-(4-morpholinyl)propylamino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-morpholin-4-ylpropylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4,5-dimethyl-2-[[2-(3-morpholinopropylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H33N3O12S MolecularWeight: 563.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNCCCN2CCOCC2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNCCCN2CCOCC2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3O4S.2C2H2O4/c1-4-25-18(23)16-13(2)14(3)26-17(16)20-15(22)12-19-6-5-7-21-8-10-24-11-9-21;2*3-1(4)2(5)6/h19H,4-12H2,1-3H3,(H,20,22);2*(H,3,4)(H,5,6)