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

Systemtic Name: 2-[5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C13H9BrNO5S2- MolecularWeight: 403.24826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)[O-])Br)O

InChI

InChI=1S/C13H10BrNO5S2/c1-20-8-3-6(2-7(14)11(8)18)4-9-12(19)15(5-10(16)17)13(21)22-9/h2-4,18H,5H2,1H3,(H,16,17)/p-1