(5-cyano-2-fluoranyl-phenyl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (5-cyano-2-fluoro-benzyl) ester Formula: C18H16FNO2S MolecularWeight: 329.388543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C18H16FNO2S/c1-13-2-5-16(6-3-13)23-9-8-18(21)22-12-15-10-14(11-20)4-7-17(15)19/h2-7,10H,8-9,12H2,1H3