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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methylbenzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic 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 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C16H15N2O3S+ MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

InChI

InChI=1S/C16H14N2O3S/c1-10-3-5-12(6-4-10)15(20)21-8-13-7-14(19)18-11(2)9-22-16(18)17-13/h3-7,9H,8H2,1-2H3/p+1