6-[5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S2/c19-14(20)4-2-1-3-9-17-15(21)13(25-16(17)24)10-11-5-7-12(8-6-11)18(22)23/h5-8,10H,1-4,9H2,(H,19,20)