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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)C2=C(C=CC(=C2Cl)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(C1)C2=C(C=CC(=C2Cl)C(=O)OC)S(=O)(=O)C

InChI

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