2-[2-oxidanidyl-3-(5-oxidanylidene-2-sulfanylidene-imidazol-4-yl)indol-1-yl]ethanoate

Systemtic Name: 2-[2-oxidanidyl-3-(5-oxidanylidene-2-sulfanylidene-imidazol-4-yl)indol-1-yl]ethanoate Openeye Name: 2-[2-oxido-3-(5-oxo-2-thioxo-imidazol-4-yl)indol-1-yl]acetate CAS Name: 2-[2-oxido-3-(5-oxo-2-sulfanylidene-4-imidazolyl)-1-indolyl]acetate IUPAC Name: 2-[2-oxido-3-(5-oxo-2-sulfanylideneimidazol-4-yl)indol-1-yl]acetate Traditional Name: 2-[3-(5-keto-2-thioxo-3-imidazolin-4-yl)-2-oxido-indol-1-yl]acetate Formula: C13H7N3O4S-2 MolecularWeight: 301.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC(=O)[O-])[O-])C3=NC(=S)NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC(=O)[O-])[O-])C3=NC(=S)NC3=O

InChI

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