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

Systemtic Name: 3-[5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C14H11BrNO5S2- MolecularWeight: 417.27484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrNO5S2/c1-21-9-5-7(4-8(15)12(9)19)6-10-13(20)16(14(22)23-10)3-2-11(17)18/h4-6,19H,2-3H2,1H3,(H,17,18)/p-1