methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-5-methylsulfonyl-benzoate CAS Name: 4-(2,4-dimethyl-1-imidazolyl)-2-ethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-5-methylsulfonylbenzoate Traditional Name: 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-5-mesyl-benzoic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=C(N=C2C)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2C=C(N=C2C)C

InChI

InChI=1S/C16H20N2O4S/c1-6-12-7-14(18-9-10(2)17-11(18)3)15(23(5,20)21)8-13(12)16(19)22-4/h7-9H,6H2,1-5H3