methyl 4-[[2-[2-cyano-2-(4-fluorophenyl)sulfanyl-ethenyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-cyano-2-(4-fluorophenyl)sulfanyl-ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[2-cyano-2-(4-fluorophenyl)sulfanyl-vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[2-cyano-2-[(4-fluorophenyl)thio]ethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-cyano-2-(4-fluorophenyl)sulfanylethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[2-cyano-2-[(4-fluorophenyl)thio]vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C24H18FNO3S MolecularWeight: 419.468023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)SC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)SC3=CC=C(C=C3)F

InChI

InChI=1S/C24H18FNO3S/c1-28-24(27)18-8-6-17(7-9-18)16-29-23-5-3-2-4-19(23)14-22(15-26)30-21-12-10-20(25)11-13-21/h2-14H,16H2,1H3