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

Systemtic Name: (3-bromophenyl)methyl 5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate Openeye Name: (3-bromophenyl)methyl 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 (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)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 (3-bromobenzyl) ester Formula: C14H10BrN2O3S+ MolecularWeight: 366.2098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN2O3S/c15-10-3-1-2-9(6-10)8-20-13(19)11-7-16-14-17(12(11)18)4-5-21-14/h1-7H,8H2/p+1