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

Systemtic Name: methyl 2-[4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[4-oxo-5-(4-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]acetic acid methyl ester Formula: C12H11N2O3S2+ MolecularWeight: 295.35734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=CC2=CC=[NH+]C=C2)SC1=S

Isomeric SMILES

COC(=O)CN1C(=O)C(=CC2=CC=[NH+]C=C2)SC1=S

InChI

InChI=1S/C12H10N2O3S2/c1-17-10(15)7-14-11(16)9(19-12(14)18)6-8-2-4-13-5-3-8/h2-6H,7H2,1H3/p+1