ethanedioic acid; ethyl 4,5-dimethyl-2-[2-(phenethylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4,5-dimethyl-2-[2-(phenethylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(phenethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(phenethylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(phenethylamino)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4,5-dimethyl-2-[[2-(phenethylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CNCCC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-4-24-19(23)17-13(2)14(3)25-18(17)21-16(22)12-20-11-10-15-8-6-5-7-9-15;3-1(4)2(5)6/h5-9,20H,4,10-12H2,1-3H3,(H,21,22);(H,3,4)(H,5,6)