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

Systemtic Name: 3-[(5E)-5-[(5-bromanyl-2-fluoranyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(5-bromo-2-fluoro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-(5-bromo-2-fluoro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C13H9BrFNO3S2 MolecularWeight: 390.247863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=C2C(=O)N(C(=S)S2)CCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)F

InChI

InChI=1S/C13H9BrFNO3S2/c14-8-1-2-9(15)7(5-8)6-10-12(19)16(13(20)21-10)4-3-11(17)18/h1-2,5-6H,3-4H2,(H,17,18)/b10-6+