ethyl 5-isocyanatosulfonyl-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-isocyanatosulfonyl-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-isocyanatosulfonyl-1-methyl-pyrazole-4-carboxylate CAS Name: 5-isocyanatosulfonyl-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-isocyanatosulfonyl-1-methylpyrazole-4-carboxylate Traditional Name: 5-isocyanatosulfonyl-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C8H9N3O5S MolecularWeight: 259.23916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)N=C=O

InChI

InChI=1S/C8H9N3O5S/c1-3-16-8(13)6-4-9-11(2)7(6)17(14,15)10-5-12/h4H,3H2,1-2H3