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

Systemtic Name: 2-[(E)-2-(4-bromanyl-2-fluoranyl-phenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Openeye Name: 2-[(E)-2-(4-bromo-2-fluoro-phenyl)vinyl]-5-ethylsulfonyl-1,3-benzoxazole CAS Name: 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole IUPAC Name: 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-5-ethylsulfonyl-1,3-benzoxazole Traditional Name: 2-[(E)-2-(4-bromo-2-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=C(C=C(C=C3)Br)F

Isomeric SMILES

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

InChI

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