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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-ethylbenzoate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (5-keto-3-methyl-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:

CCC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3C

InChI

InChI=1S/C17H16N2O3S/c1-3-12-4-6-13(7-5-12)16(21)22-9-14-8-15(20)19-11(2)10-23-17(19)18-14/h4-8,10H,3,9H2,1-2H3/p+1