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

Systemtic Name: ethyl 2-[(4-cyano-2-fluoranyl-phenyl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(4-cyano-2-fluoro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-cyano-2-fluorophenyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyano-2-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)thio]acetic acid ethyl ester Formula: C12H12FNO2S MolecularWeight: 253.292583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FNO2S/c1-2-16-12(15)8-17-7-10-4-3-9(6-14)5-11(10)13/h3-5H,2,7-8H2,1H3