2-[(5E)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 2-[(5E)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 2-[(5E)-4-oxo-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 2-[(5E)-4-oxo-5-(4-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 2-[(5E)-4-oxo-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 2-[(5E)-4-keto-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]propionate Formula: C12H10N2O3S2 MolecularWeight: 294.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3S2/c1-7(11(16)17)14-10(15)9(19-12(14)18)6-8-2-4-13-5-3-8/h2-7H,1H3,(H,16,17)/b9-6+