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

Systemtic Name: methyl 2-ethyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-ethyl-4-imidazol-1-yl-5-methylsulfonyl-benzoate CAS Name: 2-ethyl-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-imidazol-1-yl-5-methylsulfonylbenzoate Traditional Name: 2-ethyl-4-imidazol-1-yl-5-mesyl-benzoic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=CN=C2

InChI

InChI=1S/C14H16N2O4S/c1-4-10-7-12(16-6-5-15-9-16)13(21(3,18)19)8-11(10)14(17)20-2/h5-9H,4H2,1-3H3