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

Systemtic Name: 2-[(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C14H11N2O6S3- MolecularWeight: 399.44194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S3/c17-3-4-24-10-2-1-8(5-9(10)16(21)22)6-11-13(20)15(7-12(18)19)14(23)25-11/h1-2,5-6,17H,3-4,7H2,(H,18,19)/p-1/b11-6+