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

Systemtic Name: 2-[5-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[(3-bromo-2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[5-(3-bromo-2-hydroxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C12H7BrN2O6S2 MolecularWeight: 419.22778

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C=C2C(=O)N(C(=S)S2)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)C=C2C(=O)N(C(=S)S2)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H7BrN2O6S2/c13-7-3-6(15(20)21)1-5(10(7)18)2-8-11(19)14(4-9(16)17)12(22)23-8/h1-3,18H,4H2,(H,16,17)