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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)OCC2=CC(=O)N3C=CSC3=N2)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)OCC2=CC(=O)N3C=CSC3=N2)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-11-7-10(14-13-16(11)5-6-21-13)8-20-12(18)9-1-3-15(19)4-2-9/h1-7H,8H2