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

Systemtic Name: 2-[4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(4-acetamidophenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(4-acetamidophenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C19H16FNO4S MolecularWeight: 373.398043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F

InChI

InChI=1S/C19H16FNO4S/c1-12(22)21-15-6-2-13(3-7-15)4-8-17(23)14-5-9-18(16(20)10-14)26-11-19(24)25/h2-10H,11H2,1H3,(H,21,22)(H,24,25)/b8-4+