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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 5-nitrofuran-2-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic 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 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C12H8N3O6S+ MolecularWeight: 322.27342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O6S/c16-9-5-7(13-12-14(9)3-4-22-12)6-20-11(17)8-1-2-10(21-8)15(18)19/h1-5H,6H2/p+1