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

Systemtic Name: ethanedioic acid; ethyl 4-(4-methylphenyl)-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(3-morpholinopropanoylamino)-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-methylphenyl)-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-(3-morpholinopropanoylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S.C2H2O4/c1-3-27-21(25)19-17(16-6-4-15(2)5-7-16)14-28-20(19)22-18(24)8-9-23-10-12-26-13-11-23;3-1(4)2(5)6/h4-7,14H,3,8-13H2,1-2H3,(H,22,24);(H,3,4)(H,5,6)