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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(cyclopropylamino)ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(cyclopropylamino)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate; oxalic acid CAS Name: 5-[anilino(oxo)methyl]-2-[[2-(cyclopropylamino)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(cyclopropylamino)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(cyclopropylamino)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CNC3CC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CNC3CC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O4S.C2H2O4/c1-3-27-20(26)16-12(2)17(18(25)22-14-7-5-4-6-8-14)28-19(16)23-15(24)11-21-13-9-10-13;3-1(4)2(5)6/h4-8,13,21H,3,9-11H2,1-2H3,(H,22,25)(H,23,24);(H,3,4)(H,5,6)