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

Systemtic Name: 3-[5-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(5-bromo-2-hydroxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C14H12BrNO5S2 MolecularWeight: 418.28278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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