methyl 2-cyano-4-imidazol-1-yl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-imidazol-1-yl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-imidazol-1-yl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-imidazol-1-yl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-imidazol-1-yl-5-mesyl-benzoic acid methyl ester Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#N)N2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#N)N2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C13H11N3O4S/c1-20-13(17)10-6-12(21(2,18)19)11(5-9(10)7-14)16-4-3-15-8-16/h3-6,8H,1-2H3