2-[4-[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoate

Systemtic Name: 2-[4-[(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoate Openeye Name: 2-[4-[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetate CAS Name: 2-[[4-[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetate IUPAC Name: 2-[4-[(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetate Traditional Name: 2-[[4-[(E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)acryloyl]-2-fluoro-phenyl]thio]acetate Formula: C19H15BrFO5S- MolecularWeight: 454.286803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)[O-])F)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)[O-])F)Br)O

InChI

InChI=1S/C19H16BrFO5S/c1-2-26-16-8-11(7-13(20)19(16)25)3-5-15(22)12-4-6-17(14(21)9-12)27-10-18(23)24/h3-9,25H,2,10H2,1H3,(H,23,24)/p-1/b5-3+