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

Systemtic Name: (4-cyanophenyl)methyl 5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate Openeye Name: (4-cyanophenyl)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 (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)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-cyanobenzyl) ester Formula: C15H10N3O3S+ MolecularWeight: 312.3232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CNC3=[N+](C2=O)C=CS3)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CNC3=[N+](C2=O)C=CS3)C#N

InChI

InChI=1S/C15H9N3O3S/c16-7-10-1-3-11(4-2-10)9-21-14(20)12-8-17-15-18(13(12)19)5-6-22-15/h1-6,8H,9H2/p+1