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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-phenoxybenzoate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic 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 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C20H15N2O4S+ MolecularWeight: 379.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C20H14N2O4S/c23-18-12-15(21-20-22(18)10-11-27-20)13-25-19(24)14-6-8-17(9-7-14)26-16-4-2-1-3-5-16/h1-12H,13H2/p+1