methyl 2-ethyl-4-imidazol-1-yl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethyl-4-imidazol-1-yl-3-methylsulfonyl-benzoate Openeye Name: methyl 2-ethyl-4-imidazol-1-yl-3-methylsulfonyl-benzoate CAS Name: 2-ethyl-4-(1-imidazolyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-imidazol-1-yl-3-methylsulfonylbenzoate Traditional Name: 2-ethyl-4-imidazol-1-yl-3-mesyl-benzoic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)N2C=CN=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)N2C=CN=C2)C(=O)OC

InChI

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