ethanedioic acid; ethyl 2-[2-(3-methoxypropylamino)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(3-methoxypropylamino)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-methoxypropylamino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(3-methoxypropylamino)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(3-methoxypropylamino)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(3-methoxypropylamino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S.C2H2O4/c1-4-26-20(24)18-17(15-9-6-5-7-10-15)14(2)27-19(18)22-16(23)13-21-11-8-12-25-3;3-1(4)2(5)6/h5-7,9-10,21H,4,8,11-13H2,1-3H3,(H,22,23);(H,3,4)(H,5,6)