methyl 2-ethyl-4-(4-methylimidazol-1-yl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethyl-4-(4-methylimidazol-1-yl)-3-methylsulfonyl-benzoate Openeye Name: methyl 2-ethyl-4-(4-methylimidazol-1-yl)-3-methylsulfonyl-benzoate CAS Name: 2-ethyl-4-(4-methyl-1-imidazolyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(4-methylimidazol-1-yl)-3-methylsulfonylbenzoate Traditional Name: 2-ethyl-3-mesyl-4-(4-methylimidazol-1-yl)benzoic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-5-11-12(15(18)21-3)6-7-13(14(11)22(4,19)20)17-8-10(2)16-9-17/h6-9H,5H2,1-4H3