3-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Systemtic Name: 3-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-4-keto-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C15H12N2O7S2 MolecularWeight: 396.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=C3C(=O)N(C(=S)S3)CCC(=O)O)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)OCO1

InChI

InChI=1S/C15H12N2O7S2/c18-12(19)1-2-16-14(20)11(26-15(16)25)5-8-3-10(17(21)22)4-9-6-23-7-24-13(8)9/h3-5H,1-2,6-7H2,(H,18,19)/b11-5+