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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-propan-2-ylbenzoate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-11(2)12-3-5-13(6-4-12)16(21)22-10-14-9-15(20)19-7-8-23-17(19)18-14/h3-9,11H,10H2,1-2H3/p+1