(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C14H12N3O3S2+ MolecularWeight: 334.39338

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C14H11N3O3S2/c1-21-12-10(3-2-4-15-12)13(19)20-8-9-7-11(18)17-5-6-22-14(17)16-9/h2-7H,8H2,1H3/p+1