(4-cyano-2-fluoranyl-phenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate CAS Name: 3-[(4-methoxyphenyl)thio]propanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 3-(4-methoxyphenyl)sulfanylpropanoate Traditional Name: 3-[(4-methoxyphenyl)thio]propionic acid (4-cyano-2-fluoro-benzyl) ester Formula: C18H16FNO3S MolecularWeight: 345.387943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)OCC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)OCC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C18H16FNO3S/c1-22-15-4-6-16(7-5-15)24-9-8-18(21)23-12-14-3-2-13(11-20)10-17(14)19/h2-7,10H,8-9,12H2,1H3