[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=CC=C3S(=O)(=O)C)OC

InChI

InChI=1S/C19H18N2O7S/c1-25-12-8-9-13(15(10-12)26-2)18-20-17(28-21-18)11-27-19(22)14-6-4-5-7-16(14)29(3,23)24/h4-10H,11H2,1-3H3