(2-tert-butylpyrazol-3-yl) 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoate

Systemtic Name: (2-tert-butylpyrazol-3-yl) 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoate Openeye Name: (2-tert-butylpyrazol-3-yl) 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoate CAS Name: 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonylbenzoic acid (2-tert-butyl-3-pyrazolyl) ester IUPAC Name: (2-tert-butylpyrazol-3-yl) 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoate Traditional Name: 3-(2-isoxazolin-3-yl)-4-mesyl-2-methyl-benzoic acid (2-tert-butylpyrazol-3-yl) ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)OC3=CC=NN3C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)OC3=CC=NN3C(C)(C)C

InChI

InChI=1S/C19H23N3O5S/c1-12-13(18(23)27-16-8-10-20-22(16)19(2,3)4)6-7-15(28(5,24)25)17(12)14-9-11-26-21-14/h6-8,10H,9,11H2,1-5H3