6-[(5E)-5-[(4-bromanyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[(4-bromanyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(4-bromo-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-5-(4-bromo-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C16H15BrN2O5S2 MolecularWeight: 459.3347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C16H15BrN2O5S2/c17-11-6-5-10(8-12(11)19(23)24)9-13-15(22)18(16(25)26-13)7-3-1-2-4-14(20)21/h5-6,8-9H,1-4,7H2,(H,20,21)/b13-9+