[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3C

InChI

InChI=1S/C19H18N2O5S/c1-12-6-4-5-7-15(12)18-20-17(26-21-18)11-25-19(22)16-10-14(27(3,23)24)9-8-13(16)2/h4-10H,11H2,1-3H3