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

Systemtic Name: ethyl 2-[4-oxidanylidene-5-(pyridin-1-ium-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: ethyl 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]acetic acid ethyl ester IUPAC Name: ethyl 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]acetic acid ethyl ester Formula: C13H13N2O3S2+ MolecularWeight: 309.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=CC2=CC=CC=[NH+]2)SC1=S

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=CC2=CC=CC=[NH+]2)SC1=S

InChI

InChI=1S/C13H12N2O3S2/c1-2-18-11(16)8-15-12(17)10(20-13(15)19)7-9-5-3-4-6-14-9/h3-7H,2,8H2,1H3/p+1