(2-sulfanylidenepyridin-1-yl) 2-fluoranyl-2-(phenylmethyl)pent-4-enoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 2-fluoranyl-2-(phenylmethyl)pent-4-enoate Openeye Name: (2-thioxo-1-pyridyl) 2-benzyl-2-fluoro-pent-4-enoate CAS Name: 2-fluoro-2-(phenylmethyl)-4-pentenoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 2-benzyl-2-fluoropent-4-enoate Traditional Name: 2-benzyl-2-fluoro-pent-4-enoic acid (2-thioxo-1-pyridyl) ester Formula: C17H16FNO2S MolecularWeight: 317.377843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC=CC=C1)(C(=O)ON2C=CC=CC2=S)F

Isomeric SMILES

C=CCC(CC1=CC=CC=C1)(C(=O)ON2C=CC=CC2=S)F

InChI

InChI=1S/C17H16FNO2S/c1-2-11-17(18,13-14-8-4-3-5-9-14)16(20)21-19-12-7-6-10-15(19)22/h2-10,12H,1,11,13H2