ethanedioic acid; ethyl 5-(diethylcarbamoyl)-2-[2-(3-ethoxypropylamino)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-(diethylcarbamoyl)-2-[2-(3-ethoxypropylamino)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(3-ethoxypropylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylate; oxalic acid CAS Name: 5-[diethylamino(oxo)methyl]-2-[[2-(3-ethoxypropylamino)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(3-ethoxypropylamino)acetyl]amino]-4-methylthiophene-3-carboxylate; oxalic acid Traditional Name: 5-(diethylcarbamoyl)-2-[[2-(3-ethoxypropylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H35N3O9S MolecularWeight: 517.593

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CNCCCOCC)C(=O)OCC)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CNCCCOCC)C(=O)OCC)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H33N3O5S.C2H2O4/c1-6-23(7-2)19(25)17-14(5)16(20(26)28-9-4)18(29-17)22-15(24)13-21-11-10-12-27-8-3;3-1(4)2(5)6/h21H,6-13H2,1-5H3,(H,22,24);(H,3,4)(H,5,6)