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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-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-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-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=CC=[N+](C(=C1)C(=O)OCC2=CC(=O)N3C=CSC3=N2)[O-]

Isomeric SMILES

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

InChI

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