2-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[(7-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C13H7BrNO5S2- MolecularWeight: 401.23238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrNO5S2/c14-7-1-6(2-8-11(7)20-5-19-8)3-9-12(18)15(4-10(16)17)13(21)22-9/h1-3H,4-5H2,(H,16,17)/p-1/b9-3+