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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(3-oxidanylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(3-hydroxypropylamino)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H24N2O8S MolecularWeight: 452.47816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S.C2H2O4/c1-2-24-18(23)16-14(13-7-4-3-5-8-13)12-25-17(16)20-15(22)11-19-9-6-10-21;3-1(4)2(5)6/h3-5,7-8,12,19,21H,2,6,9-11H2,1H3,(H,20,22);(H,3,4)(H,5,6)