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

Systemtic Name: 2-[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(4-tert-butylphenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C21H21FO3S MolecularWeight: 372.453043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FO3S/c1-21(2,3)16-8-4-14(5-9-16)6-10-18(23)15-7-11-19(17(22)12-15)26-13-20(24)25/h4-12H,13H2,1-3H3,(H,24,25)/b10-6+