3-methylbut-2-enyl 2-fluoranyl-2-phenylsulfanyl-ethanoate

Systemtic Name: 3-methylbut-2-enyl 2-fluoranyl-2-phenylsulfanyl-ethanoate Openeye Name: 3-methylbut-2-enyl 2-fluoro-2-phenylsulfanyl-acetate CAS Name: 2-fluoro-2-(phenylthio)acetic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 2-fluoro-2-phenylsulfanylacetate Traditional Name: 2-fluoro-2-(phenylthio)acetic acid 3-methylbut-2-enyl ester Formula: C13H15FO2S MolecularWeight: 254.320403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C(F)SC1=CC=CC=C1)C

Isomeric SMILES

CC(=CCOC(=O)C(F)SC1=CC=CC=C1)C

InChI

InChI=1S/C13H15FO2S/c1-10(2)8-9-16-13(15)12(14)17-11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3