methyl 3-[4-fluoranyl-2-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-fluoranyl-2-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate CAS Name: 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate Traditional Name: 3-[[4-fluoro-2-[1-(propylamino)ethyl]phenyl]thio]propionic acid methyl ester Formula: C15H22FNO2S MolecularWeight: 299.404083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)C1=C(C=CC(=C1)F)SCCC(=O)OC

Isomeric SMILES

CCCNC(C)C1=C(C=CC(=C1)F)SCCC(=O)OC

InChI

InChI=1S/C15H22FNO2S/c1-4-8-17-11(2)13-10-12(16)5-6-14(13)20-9-7-15(18)19-3/h5-6,10-11,17H,4,7-9H2,1-3H3