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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C(=O)C(=CC2=CC=CC=[NH+]2)SC1=S

Isomeric SMILES

CC(C(=O)OC)N1C(=O)C(=CC2=CC=CC=[NH+]2)SC1=S

InChI

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