ethyl 3-methyl-4-oxidanylidene-2H-[1,2]thiazolo[5,4-b]pyridin-7-ium-5-carboxylate

Systemtic Name: ethyl 3-methyl-4-oxidanylidene-2H-[1,2]thiazolo[5,4-b]pyridin-7-ium-5-carboxylate Openeye Name: ethyl 3-methyl-4-oxo-2H-isothiazolo[5,4-b]pyridin-7-ium-5-carboxylate CAS Name: 3-methyl-4-oxo-2H-isothiazolo[5,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-oxo-2H-[1,2]thiazolo[5,4-b]pyridin-7-ium-5-carboxylate Traditional Name: 4-keto-3-methyl-2H-isothiazolo[5,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester Formula: C10H11N2O3S+ MolecularWeight: 239.27094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(NS2)C)C1=O

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(NS2)C)C1=O

InChI

InChI=1S/C10H10N2O3S/c1-3-15-10(14)6-4-11-9-7(8(6)13)5(2)12-16-9/h4,12H,3H2,1-2H3/p+1