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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(methylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(methylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(methylamino)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(methylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-(p-tolyl)-2-(sarcosylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S.C2H2O4/c1-4-22-17(21)15-13(12-7-5-11(2)6-8-12)10-23-16(15)19-14(20)9-18-3;3-1(4)2(5)6/h5-8,10,18H,4,9H2,1-3H3,(H,19,20);(H,3,4)(H,5,6)