ethanedioic acid; ethyl 2-[2-(2-methylbutan-2-ylamino)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(2-methylbutan-2-ylamino)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,1-dimethylpropylamino)acetyl]amino]-5-isopropyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(2-methylbutan-2-ylamino)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(2-methylbutan-2-ylamino)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(tert-amylamino)acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C19H30N2O7S MolecularWeight: 430.5157

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)NC1=C(C=C(S1)C(C)C)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)(C)NCC(=O)NC1=C(C=C(S1)C(C)C)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O3S.C2H2O4/c1-7-17(5,6)18-10-14(20)19-15-12(16(21)22-8-2)9-13(23-15)11(3)4;3-1(4)2(5)6/h9,11,18H,7-8,10H2,1-6H3,(H,19,20);(H,3,4)(H,5,6)