(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c1-12-8-9-14(26(2,22)23)10-15(12)18(21)24-11-16-19-17(20-25-16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3