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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(2-dimethylaminoethylamino)ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(2-dimethylaminoethylamino)-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C18H28N4O8S MolecularWeight: 460.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CNCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CNCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N4O4S.C2H2O4/c1-6-24-16(23)12-10(2)13(14(22)17-3)25-15(12)19-11(21)9-18-7-8-20(4)5;3-1(4)2(5)6/h18H,6-9H2,1-5H3,(H,17,22)(H,19,21);(H,3,4)(H,5,6)