ethanedioic acid; ethyl 4-(4-methylphenyl)-2-[2-(2-methylpropylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(4-methylphenyl)-2-[2-(2-methylpropylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(isobutylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(isobutylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3S.C2H2O4/c1-5-25-20(24)18-16(15-8-6-14(4)7-9-15)12-26-19(18)22-17(23)11-21-10-13(2)3;3-1(4)2(5)6/h6-9,12-13,21H,5,10-11H2,1-4H3,(H,22,23);(H,3,4)(H,5,6)