11-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate

Systemtic Name: 11-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate Openeye Name: 11-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoate CAS Name: 11-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoate IUPAC Name: 11-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate Traditional Name: 11-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]undecanoate Formula: C21H25N2O5S2- MolecularWeight: 449.5636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C21H26N2O5S2/c24-19(25)12-7-5-3-1-2-4-6-8-13-22-20(26)18(30-21(22)29)15-16-10-9-11-17(14-16)23(27)28/h9-11,14-15H,1-8,12-13H2,(H,24,25)/p-1/b18-15+