ethanedioic acid; ethyl 2-[2-(furan-2-ylmethylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(furan-2-ylmethylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-furylmethylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(2-furanylmethylamino)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[2-(furan-2-ylmethylamino)propanoylamino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[2-(2-furfurylamino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H24N2O8S MolecularWeight: 488.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)NCC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)NCC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H22N2O4S.C2H2O4/c1-3-26-21(25)18-17(15-8-5-4-6-9-15)13-28-20(18)23-19(24)14(2)22-12-16-10-7-11-27-16;3-1(4)2(5)6/h4-11,13-14,22H,3,12H2,1-2H3,(H,23,24);(H,3,4)(H,5,6)