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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-cyanobenzoate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C15H10N3O3S+ MolecularWeight: 312.3232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)C#N

InChI

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