2-[2-fluoranyl-4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(1-naphthyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(1-naphthyl)acryloyl]phenyl]thio]acetic acid Formula: C21H15FO3S MolecularWeight: 366.405403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC(=C(C=C3)SCC(=O)O)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)C3=CC(=C(C=C3)SCC(=O)O)F

InChI

InChI=1S/C21H15FO3S/c22-18-12-16(9-11-20(18)26-13-21(24)25)19(23)10-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,24,25)/b10-8+