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

Systemtic Name: ethanedioic acid; ethyl 4-(4-methylphenyl)-2-[2-(3-oxidanylpropylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(3-hydroxypropylamino)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S.C2H2O4/c1-3-25-19(24)17-15(14-7-5-13(2)6-8-14)12-26-18(17)21-16(23)11-20-9-4-10-22;3-1(4)2(5)6/h5-8,12,20,22H,3-4,9-11H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)