2-[[5-[(3-oxidanylidene-4H-quinoxalin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(3-oxidanylidene-4H-quinoxalin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(3-oxo-4H-quinoxalin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(3-oxo-4H-quinoxalin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(3-oxo-4H-quinoxalin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(3-keto-4H-quinoxalin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=NN=C(O3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=NN=C(O3)SCC(=O)O

InChI

InChI=1S/C13H10N4O4S/c18-11(19)6-22-13-17-16-10(21-13)5-9-12(20)15-8-4-2-1-3-7(8)14-9/h1-4H,5-6H2,(H,15,20)(H,18,19)