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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methyl-2-phenyl-propanoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-12-11-24-17-19-14(9-15(21)20(12)17)10-23-16(22)18(2,3)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3/p+1