methyl 2-(5-azanyl-2-cyano-4-fluoranyl-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(5-azanyl-2-cyano-4-fluoranyl-phenyl)sulfanylethanoate Openeye Name: methyl 2-(5-amino-2-cyano-4-fluoro-phenyl)sulfanylacetate CAS Name: 2-[(5-amino-2-cyano-4-fluorophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-amino-2-cyano-4-fluorophenyl)sulfanylacetate Traditional Name: 2-[(5-amino-2-cyano-4-fluoro-phenyl)thio]acetic acid methyl ester Formula: C10H9FN2O2S MolecularWeight: 240.254063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=C(C=C1C#N)F)N

Isomeric SMILES

COC(=O)CSC1=CC(=C(C=C1C#N)F)N

InChI

InChI=1S/C10H9FN2O2S/c1-15-10(14)5-16-9-3-8(13)7(11)2-6(9)4-12/h2-3H,5,13H2,1H3