2-[2-fluoranyl-4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(6-methoxy-2-naphthyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-3-(6-methoxy-2-naphthalenyl)-1-oxoprop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(6-methoxy-2-naphthyl)acryloyl]phenyl]thio]acetic acid Formula: C22H17FO4S MolecularWeight: 396.431383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)C3=CC(=C(C=C3)SCC(=O)O)F

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)C3=CC(=C(C=C3)SCC(=O)O)F

InChI

InChI=1S/C22H17FO4S/c1-27-18-7-5-15-10-14(2-4-16(15)11-18)3-8-20(24)17-6-9-21(19(23)12-17)28-13-22(25)26/h2-12H,13H2,1H3,(H,25,26)/b8-3+