ethanedioic acid; ethyl 2-(3-morpholin-4-ylpropanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-(3-morpholin-4-ylpropanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-morpholinopropanoylamino)-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-(3-morpholin-4-ylpropanoylamino)-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-(3-morpholinopropanoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCOCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCOCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O4S.C2H2O4/c1-2-26-20(24)18-16(15-6-4-3-5-7-15)14-27-19(18)21-17(23)8-9-22-10-12-25-13-11-22;3-1(4)2(5)6/h3-7,14H,2,8-13H2,1H3,(H,21,23);(H,3,4)(H,5,6)