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

Systemtic Name: 4-[(5E)-5-[(5-bromanyl-2-fluoranyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5E)-5-[(5-bromo-2-fluoro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5E)-5-(5-bromo-2-fluoro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C17H9BrFNO3S2 MolecularWeight: 438.290663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=CC3=C(C=CC(=C3)Br)F)SC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)/C(=C\C3=C(C=CC(=C3)Br)F)/SC2=S

InChI

InChI=1S/C17H9BrFNO3S2/c18-11-3-6-13(19)10(7-11)8-14-15(21)20(17(24)25-14)12-4-1-9(2-5-12)16(22)23/h1-8H,(H,22,23)/b14-8+