ethyl 2-chloranylsulfonyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-4-carboxylate

Systemtic Name: ethyl 2-chloranylsulfonyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-4-carboxylate Openeye Name: ethyl 2-chlorosulfonyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-4-carboxylate CAS Name: 2-chlorosulfonyl-5,7-dimethyl-4-pyrazolo[1,5-a]pyrimidin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-chlorosulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-4-ium-4-carboxylate Traditional Name: 2-chlorosulfonyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-4-ium-4-carboxylic acid ethyl ester Formula: C11H13ClN3O4S+ MolecularWeight: 318.75662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=C(C=C(N2C1=CC(=N2)S(=O)(=O)Cl)C)C

Isomeric SMILES

CCOC(=O)[N+]1=C(C=C(N2C1=CC(=N2)S(=O)(=O)Cl)C)C

InChI

InChI=1S/C11H13ClN3O4S/c1-4-19-11(16)14-7(2)5-8(3)15-10(14)6-9(13-15)20(12,17)18/h5-6H,4H2,1-3H3/q+1