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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-phenethylbenzoate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic 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 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C22H19N2O3S+ MolecularWeight: 391.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C22H18N2O3S/c25-20-14-18(23-22-24(20)12-13-28-22)15-27-21(26)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2/p+1