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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-phenylazanylbenzoate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-anilinobenzoate CAS Name: 2-anilinobenzoic 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-anilinobenzoate Traditional Name: 2-anilinobenzoic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C20H16N3O3S+ MolecularWeight: 378.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C20H15N3O3S/c24-18-12-15(22-20-23(18)10-11-27-20)13-26-19(25)16-8-4-5-9-17(16)21-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,25)/p+1