ethanedioic acid; 4-[2-(thiophen-2-ylmethylamino)ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: ethanedioic acid; 4-[2-(thiophen-2-ylmethylamino)ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: oxalic acid; 4-[2-(2-thienylmethylamino)acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: oxalic acid; 4-[1-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: oxalic acid; 4-[2-(thiophen-2-ylmethylamino)acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: oxalic acid; 4-[2-(2-thenylamino)acetyl]-1,3-dihydroquinoxalin-2-one Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)CNCC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CNCC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15N3O2S.C2H2O4/c19-14-10-18(13-6-2-1-5-12(13)17-14)15(20)9-16-8-11-4-3-7-21-11;3-1(4)2(5)6/h1-7,16H,8-10H2,(H,17,19);(H,3,4)(H,5,6)