3-[(5E)-5-[(4-chloranyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: 3-[(5E)-5-[(4-chloranyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: 3-[(5E)-5-[(4-chloro-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 3-[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoate IUPAC Name: 3-[(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 3-[(5E)-5-(4-chloro-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoate Formula: C17H8ClN2O5S2- MolecularWeight: 419.83882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC2=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/SC2=S)C(=O)[O-]

InChI

InChI=1S/C17H9ClN2O5S2/c18-12-5-4-9(6-13(12)20(24)25)7-14-15(21)19(17(26)27-14)11-3-1-2-10(8-11)16(22)23/h1-8H,(H,22,23)/p-1/b14-7+