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

Systemtic Name: ethanedioic acid; ethyl 5-ethyl-4-methyl-2-[2-(pyridin-2-ylmethylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(2-pyridylmethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-(2-pyridinylmethylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 5-ethyl-4-methyl-2-[[2-(2-pyridylmethylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CNCC2=CC=CC=N2)C(=O)OCC)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CNCC2=CC=CC=N2)C(=O)OCC)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3S.C2H2O4/c1-4-14-12(3)16(18(23)24-5-2)17(25-14)21-15(22)11-19-10-13-8-6-7-9-20-13;3-1(4)2(5)6/h6-9,19H,4-5,10-11H2,1-3H3,(H,21,22);(H,3,4)(H,5,6)