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

Systemtic Name: methyl 3-[4-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate CAS Name: 3-[[4-[1-(propylamino)ethyl]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(propylamino)ethyl]phenyl]sulfanylpropanoate Traditional Name: 3-[[4-[1-(propylamino)ethyl]phenyl]thio]propionic acid methyl ester Formula: C15H23NO2S MolecularWeight: 281.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2S/c1-4-10-16-12(2)13-5-7-14(8-6-13)19-11-9-15(17)18-3/h5-8,12,16H,4,9-11H2,1-3H3