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

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

CC(C(=O)O)N1C(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)SC1=S

Isomeric SMILES

CC(C(=O)O)N1C(=O)/C(=C\C2=CC(=C(C(=C2)Br)O)OC)/SC1=S

InChI

InChI=1S/C14H12BrNO5S2/c1-6(13(19)20)16-12(18)10(23-14(16)22)5-7-3-8(15)11(17)9(4-7)21-2/h3-6,17H,1-2H3,(H,19,20)/b10-5+