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

Systemtic Name: ethanedioic acid; ethyl 5-(diethylcarbamoyl)-2-[2-(dimethylamino)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(dimethylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylate; oxalic acid CAS Name: 5-[diethylamino(oxo)methyl]-2-[[2-(dimethylamino)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-3-carboxylate; oxalic acid Traditional Name: 5-(diethylcarbamoyl)-2-[[2-(dimethylamino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C19H29N3O8S MolecularWeight: 459.51386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S.C2H2O4/c1-7-20(8-2)16(22)14-11(4)13(17(23)24-9-3)15(25-14)18-12(21)10-19(5)6;3-1(4)2(5)6/h7-10H2,1-6H3,(H,18,21);(H,3,4)(H,5,6)