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

Systemtic Name: ethanedioic acid; ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholinopropanoylamino)thiophene-3-carboxylate; oxalic acid CAS Name: 4-(3,4-dimethylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ylpropanoylamino)thiophene-3-carboxylate; oxalic acid Traditional Name: 4-(3,4-dimethylphenyl)-2-(3-morpholinopropanoylamino)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H30N2O8S MolecularWeight: 506.5686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S.C2H2O4/c1-4-28-22(26)20-18(17-6-5-15(2)16(3)13-17)14-29-21(20)23-19(25)7-8-24-9-11-27-12-10-24;3-1(4)2(5)6/h5-6,13-14H,4,7-12H2,1-3H3,(H,23,25);(H,3,4)(H,5,6)