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

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonylbenzoate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H20N2O8S/c1-26-14-9-12(10-15(27-2)18(14)28-3)19-22-21-17(30-19)11-29-20(23)13-7-5-6-8-16(13)31(4,24)25/h5-10H,11H2,1-4H3