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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3S2/c15-10(16)3-6-14-11(17)9(19-12(14)18)7-8-1-4-13-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,16)