ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate

Systemtic Name: ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate Openeye Name: ethyl 4-hydroxy-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-oxo-furan-2-carboxylate CAS Name: 4-hydroxy-3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-5-oxo-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-oxofuran-2-carboxylate Traditional Name: 4-hydroxy-5-keto-3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]furan-2-carboxylic acid ethyl ester Formula: C22H16N6O9S2 MolecularWeight: 572.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(C(=O)O1)O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(C(=C(C(=O)O1)O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CSC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O9S2/c1-2-36-19(31)22(9-38-20-23-12-5-3-10(27(32)33)7-14(12)25-20)17(16(29)18(30)37-22)39-21-24-13-6-4-11(28(34)35)8-15(13)26-21/h3-8,29H,2,9H2,1H3,(H,23,25)(H,24,26)