5-(3-bromanyl-2-ethoxy-6-methylsulfanyl-phenyl)-3-methyl-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(3-bromanyl-2-ethoxy-6-methylsulfanyl-phenyl)-3-methyl-4,5-dihydro-1,2-oxazole Openeye Name: 5-(3-bromo-2-ethoxy-6-methylsulfanyl-phenyl)-3-methyl-4,5-dihydroisoxazole CAS Name: 5-[3-bromo-2-ethoxy-6-(methylthio)phenyl]-3-methyl-4,5-dihydroisoxazole IUPAC Name: 5-(3-bromo-2-ethoxy-6-methylsulfanylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole Traditional Name: 5-[3-bromo-2-ethoxy-6-(methylthio)phenyl]-3-methyl-2-isoxazoline Formula: C13H16BrNO2S MolecularWeight: 330.24064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1C2CC(=NO2)C)SC)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1C2CC(=NO2)C)SC)Br

InChI

InChI=1S/C13H16BrNO2S/c1-4-16-13-9(14)5-6-11(18-3)12(13)10-7-8(2)15-17-10/h5-6,10H,4,7H2,1-3H3