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

Systemtic Name: 3-[5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C13H10N2O6S2 MolecularWeight: 354.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O6S2/c16-9-2-1-8(15(20)21)5-7(9)6-10-12(19)14(13(22)23-10)4-3-11(17)18/h1-2,5-6,16H,3-4H2,(H,17,18)