2-[2-fluoranyl-4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(4-benzoxyphenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C24H19FO4S MolecularWeight: 422.468663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)C3=CC(=C(C=C3)SCC(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC(=C(C=C3)SCC(=O)O)F

InChI

InChI=1S/C24H19FO4S/c25-21-14-19(9-13-23(21)30-16-24(27)28)22(26)12-8-17-6-10-20(11-7-17)29-15-18-4-2-1-3-5-18/h1-14H,15-16H2,(H,27,28)/b12-8+