ethanedioic acid; ethyl 2-[[2-(2-methylpropylamino)-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[[2-(2-methylpropylamino)-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(isobutylamino)-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(2-methylpropylamino)-1-oxo-2-phenylethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(2-methylpropylamino)-2-phenylacetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(isobutylamino)-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C27H30N2O7S MolecularWeight: 526.6013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)NCC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)NCC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O3S.C2H2O4/c1-4-30-25(29)21-20(18-11-7-5-8-12-18)16-31-24(21)27-23(28)22(26-15-17(2)3)19-13-9-6-10-14-19;3-1(4)2(5)6/h5-14,16-17,22,26H,4,15H2,1-3H3,(H,27,28);(H,3,4)(H,5,6)