2-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-5-esyl-1,3-benzoxazole Formula: C17H13BrFNO3S MolecularWeight: 410.257423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C=CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C17H13BrFNO3S/c1-2-24(21,22)12-5-7-16-15(10-12)20-17(23-16)8-4-11-3-6-14(19)13(18)9-11/h3-10H,2H2,1H3/b8-4+