3-(3-bromanyl-2-ethyl-6-methylsulfonyl-phenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-bromanyl-2-ethyl-6-methylsulfonyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-2-ethyl-6-methylsulfonyl-phenyl)-4,5-dihydroisoxazole CAS Name: 3-(3-bromo-2-ethyl-6-methylsulfonylphenyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-2-ethyl-6-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-2-ethyl-6-mesyl-phenyl)-2-isoxazoline Formula: C12H14BrNO3S MolecularWeight: 332.21346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)Br

Isomeric SMILES

CCC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)Br

InChI

InChI=1S/C12H14BrNO3S/c1-3-8-9(13)4-5-11(18(2,15)16)12(8)10-6-7-17-14-10/h4-5H,3,6-7H2,1-2H3