methyl 5-fluoranyl-2-(3-methylsulfanylpropylamino)benzoate

Systemtic Name: methyl 5-fluoranyl-2-(3-methylsulfanylpropylamino)benzoate Openeye Name: methyl 5-fluoro-2-(3-methylsulfanylpropylamino)benzoate CAS Name: 5-fluoro-2-[3-(methylthio)propylamino]benzoic acid methyl ester IUPAC Name: methyl 5-fluoro-2-(3-methylsulfanylpropylamino)benzoate Traditional Name: 5-fluoro-2-[3-(methylthio)propylamino]benzoic acid methyl ester Formula: C12H16FNO2S MolecularWeight: 257.324343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)F)NCCCSC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)F)NCCCSC

InChI

InChI=1S/C12H16FNO2S/c1-16-12(15)10-8-9(13)4-5-11(10)14-6-3-7-17-2/h4-5,8,14H,3,6-7H2,1-2H3