methyl 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]acetic acid methyl ester Formula: C11H10FNO2S MolecularWeight: 239.266003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

COC(=O)CSCC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C11H10FNO2S/c1-15-11(14)7-16-6-9-3-2-8(5-13)4-10(9)12/h2-4H,6-7H2,1H3