ethyl 4-[5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyanoethenyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-(4-bromophenyl)sulfonyl-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-brosyl-2-cyano-vinyl]-2-furyl]benzoic acid ethyl ester Formula: C22H16BrNO5S MolecularWeight: 486.33514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H16BrNO5S/c1-2-28-22(25)16-5-3-15(4-6-16)21-12-9-18(29-21)13-20(14-24)30(26,27)19-10-7-17(23)8-11-19/h3-13H,2H2,1H3/b20-13+