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

Systemtic Name: 3-[5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]propionate Formula: C13H9N2O5S2- MolecularWeight: 337.35096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O5S2/c16-11(17)5-6-14-12(18)10(22-13(14)21)7-8-1-3-9(4-2-8)15(19)20/h1-4,7H,5-6H2,(H,16,17)/p-1