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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-phenylmethoxybenzoate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic 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-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C21H17N2O4S+ MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C21H16N2O4S/c24-19-12-17(22-21-23(19)10-11-28-21)14-27-20(25)16-6-8-18(9-7-16)26-13-15-4-2-1-3-5-15/h1-12H,13-14H2/p+1