2-[3-bromanyl-4-[(E)-3-(2-methoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-bromanyl-4-[(E)-3-(2-methoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-bromo-4-[(E)-3-(2-methoxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-bromo-4-[[(E)-3-(2-methoxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-bromo-4-[(E)-3-(2-methoxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-bromo-4-[[(E)-3-(2-methoxyphenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C24H21BrO4S MolecularWeight: 485.39014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C(=C/CSC2=C(C=C(C=C2)OCC(=O)O)Br)/C3=CC=CC=C3

InChI

InChI=1S/C24H21BrO4S/c1-28-22-10-6-5-9-20(22)19(17-7-3-2-4-8-17)13-14-30-23-12-11-18(15-21(23)25)29-16-24(26)27/h2-13,15H,14,16H2,1H3,(H,26,27)/b19-13+