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

Systemtic Name: 2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(4-cyanophenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C18H12FNO3S MolecularWeight: 341.356183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H12FNO3S/c19-15-9-14(6-8-17(15)24-11-18(22)23)16(21)7-5-12-1-3-13(10-20)4-2-12/h1-9H,11H2,(H,22,23)/b7-5+