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

Systemtic Name: methyl 3-[4-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate CAS Name: 3-[[4-[1-(methylamino)ethyl]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate Traditional Name: 3-[[4-[1-(methylamino)ethyl]phenyl]thio]propionic acid methyl ester Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2S/c1-10(14-2)11-4-6-12(7-5-11)17-9-8-13(15)16-3/h4-7,10,14H,8-9H2,1-3H3