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

Systemtic Name: 2-[(5E)-5-[(4-bromanyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[(4-bromo-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-(4-bromo-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C12H6BrN2O5S2- MolecularWeight: 402.22044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CC(=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C12H7BrN2O5S2/c13-7-2-1-6(3-8(7)15(19)20)4-9-11(18)14(5-10(16)17)12(21)22-9/h1-4H,5H2,(H,16,17)/p-1/b9-4+