2-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-4-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]acetate Formula: C13H7N2O7S2- MolecularWeight: 367.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N(C(=S)S3)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7S2/c16-11(17)4-14-12(18)10(24-13(14)23)2-6-1-8-9(22-5-21-8)3-7(6)15(19)20/h1-3H,4-5H2,(H,16,17)/p-1/b10-2+