2-[4-[(E)-3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(E)-3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(2-ethoxy-1-naphthyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(2-ethoxy-1-naphthalenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(2-ethoxy-1-naphthyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C23H19FO4S MolecularWeight: 410.457963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C=CC(=O)C3=CC(=C(C=C3)SCC(=O)O)F

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)/C=C/C(=O)C3=CC(=C(C=C3)SCC(=O)O)F

InChI

InChI=1S/C23H19FO4S/c1-2-28-21-11-7-15-5-3-4-6-17(15)18(21)9-10-20(25)16-8-12-22(19(24)13-16)29-14-23(26)27/h3-13H,2,14H2,1H3,(H,26,27)/b10-9+