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

Systemtic Name: 2-[3-bromanyl-4-[(E)-3-(2-ethoxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-bromo-4-[(E)-3-(2-ethoxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-bromo-4-[[(E)-3-(2-ethoxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-bromo-4-[(E)-3-(2-ethoxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-bromo-4-[[(E)-3-o-phenetyl-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C25H23BrO4S MolecularWeight: 499.41672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1/C(=C/CSC2=C(C=C(C=C2)OCC(=O)O)Br)/C3=CC=CC=C3

InChI

InChI=1S/C25H23BrO4S/c1-2-29-23-11-7-6-10-21(23)20(18-8-4-3-5-9-18)14-15-31-24-13-12-19(16-22(24)26)30-17-25(27)28/h3-14,16H,2,15,17H2,1H3,(H,27,28)/b20-14+