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

Systemtic Name: (5-methyl-4,5-dihydro-1,2-oxazol-3-yl) 2-chloranyl-3-methyl-4-methylsulfonyl-benzoate Openeye Name: (5-methyl-4,5-dihydroisoxazol-3-yl) 2-chloro-3-methyl-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-methyl-4-methylsulfonylbenzoic acid (5-methyl-4,5-dihydroisoxazol-3-yl) ester IUPAC Name: (5-methyl-4,5-dihydro-1,2-oxazol-3-yl) 2-chloro-3-methyl-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-3-methyl-benzoic acid (5-methyl-2-isoxazolin-3-yl) ester Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NO1)OC(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C)Cl

Isomeric SMILES

CC1CC(=NO1)OC(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C)Cl

InChI

InChI=1S/C13H14ClNO5S/c1-7-6-11(15-20-7)19-13(16)9-4-5-10(21(3,17)18)8(2)12(9)14/h4-5,7H,6H2,1-3H3