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

Systemtic Name: 4-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-4-keto-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C16H14N2O7S2 MolecularWeight: 410.42156

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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)CCCC(=O)O)OCO1

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7S2/c19-13(20)2-1-3-17-15(21)12(27-16(17)26)6-9-4-11(18(22)23)5-10-7-24-8-25-14(9)10/h4-6H,1-3,7-8H2,(H,19,20)/b12-6+