6-[(5Z)-5-[(4-ethyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-5-[(4-ethyl-3-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[(4-ethyl-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[(4-ethyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[(4-ethyl-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-(4-ethyl-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-2-13-8-7-12(10-14(13)20(24)25)11-15-17(23)19(18(26)27-15)9-5-3-4-6-16(21)22/h7-8,10-11H,2-6,9H2,1H3,(H,21,22)/b15-11-