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

Systemtic Name: 5-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Openeye Name: 5-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic acid CAS Name: 5-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoic acid IUPAC Name: 5-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Traditional Name: 5-[(5E)-4-keto-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-2-thioxo-thiazolidin-3-yl]valeric acid Formula: C17H16N2O7S2 MolecularWeight: 424.44814

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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)CCCCC(=O)O)OCO1

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S2/c20-14(21)3-1-2-4-18-16(22)13(28-17(18)27)7-10-5-12(19(23)24)6-11-8-25-9-26-15(10)11/h5-7H,1-4,8-9H2,(H,20,21)/b13-7+