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

Systemtic Name: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 2-[(5Z)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 2-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 2-[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C13H10N2O5S2 MolecularWeight: 338.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SC1=S

Isomeric SMILES

CC(C(=O)O)N1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C13H10N2O5S2/c1-7(12(17)18)14-11(16)10(22-13(14)21)6-8-2-4-9(5-3-8)15(19)20/h2-7H,1H3,(H,17,18)/b10-6-