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

Systemtic Name: methyl 3-[4-oxidanylidene-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[4-oxo-5-(3-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[4-keto-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]propionic acid methyl ester Formula: C13H13N2O3S2+ MolecularWeight: 309.38392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C(=CC2=C[NH+]=CC=C2)SC1=S

Isomeric SMILES

COC(=O)CCN1C(=O)C(=CC2=C[NH+]=CC=C2)SC1=S

InChI

InChI=1S/C13H12N2O3S2/c1-18-11(16)4-6-15-12(17)10(20-13(15)19)7-9-3-2-5-14-8-9/h2-3,5,7-8H,4,6H2,1H3/p+1