2-[1-[1,3-bis(oxidanylidene)isoindol-5-yl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[1,3-bis(oxidanylidene)isoindol-5-yl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1,3-dioxoisoindolin-5-yl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1,3-dioxo-5-isoindolyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1,3-dioxoisoindol-5-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1,3-diketoisoindolin-5-yl)imidazol-2-yl]thio]acetic acid Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C=CN=C3SCC(=O)O)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1N3C=CN=C3SCC(=O)O)C(=O)NC2=O

InChI

InChI=1S/C13H9N3O4S/c17-10(18)6-21-13-14-3-4-16(13)7-1-2-8-9(5-7)12(20)15-11(8)19/h1-5H,6H2,(H,17,18)(H,15,19,20)