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

Systemtic Name: 2-[4-oxidanylidene-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[4-oxo-5-(pyridin-1-ium-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[4-oxo-5-(2-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[4-oxo-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(pyridin-1-ium-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]acetate Formula: C11H8N2O3S2 MolecularWeight: 280.32282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O3S2/c14-9(15)6-13-10(16)8(18-11(13)17)5-7-3-1-2-4-12-7/h1-5H,6H2,(H,14,15)