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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-ethoxypyridine-3-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic 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-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C15H14N3O4S+ MolecularWeight: 332.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C15H13N3O4S/c1-2-21-13-11(4-3-5-16-13)14(20)22-9-10-8-12(19)18-6-7-23-15(18)17-10/h3-8H,2,9H2,1H3/p+1