(4-methylphenyl)methyl 5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate

Systemtic Name: (4-methylphenyl)methyl 5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate Openeye Name: p-tolylmethyl 5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate CAS Name: 5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate Traditional Name: 5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylic acid (4-methylbenzyl) ester Formula: C15H13N2O3S+ MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CNC3=[N+](C2=O)C=CS3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CNC3=[N+](C2=O)C=CS3

InChI

InChI=1S/C15H12N2O3S/c1-10-2-4-11(5-3-10)9-20-14(19)12-8-16-15-17(13(12)18)6-7-21-15/h2-8H,9H2,1H3/p+1