ethyl 3-(1H-imidazol-5-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propanoate

Systemtic Name: ethyl 3-(1H-imidazol-5-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propanoate Openeye Name: ethyl 3-(1H-imidazol-5-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propanoate CAS Name: 3-(1H-imidazol-5-yl)-3-[(4-methoxyphenyl)methylthio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-imidazol-5-yl)-3-[(4-methoxyphenyl)methylsulfanyl]propanoate Traditional Name: 3-(1H-imidazol-5-yl)-3-(p-anisylthio)propionic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CN1)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CC(C1=CN=CN1)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H20N2O3S/c1-3-21-16(19)8-15(14-9-17-11-18-14)22-10-12-4-6-13(20-2)7-5-12/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,17,18)