ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-3-pyridin-2-yl-propanoate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-3-pyridin-2-yl-propanoate Openeye Name: ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-3-(2-pyridyl)propanoate CAS Name: 3-[(4-methoxyphenyl)methylthio]-3-(2-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxyphenyl)methylsulfanyl]-3-pyridin-2-ylpropanoate Traditional Name: 3-(p-anisylthio)-3-(2-pyridyl)propionic acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=N1)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=N1)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21NO3S/c1-3-22-18(20)12-17(16-6-4-5-11-19-16)23-13-14-7-9-15(21-2)10-8-14/h4-11,17H,3,12-13H2,1-2H3