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

Systemtic Name: 6-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-4-keto-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylene]-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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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)CCCCCC(=O)O)OCO1

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S2/c21-15(22)4-2-1-3-5-19-17(23)14(29-18(19)28)8-11-6-13(20(24)25)7-12-9-26-10-27-16(11)12/h6-8H,1-5,9-10H2,(H,21,22)/b14-8+