ethanedioic acid; ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholinopropanoylamino)thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate; oxalic acid Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-(3-morpholinopropanoylamino)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H27ClN2O8S MolecularWeight: 526.98708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S.C2H2O4/c1-3-28-21(26)19-18(15-4-6-16(22)7-5-15)14(2)29-20(19)23-17(25)8-9-24-10-12-27-13-11-24;3-1(4)2(5)6/h4-7H,3,8-13H2,1-2H3,(H,23,25);(H,3,4)(H,5,6)