[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2R)-2-phenylsulfanylpropanoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NO1)C2=C(C=C(C=C2)OC)OC)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC1=NC(=NO1)C2=C(C=C(C=C2)OC)OC)SC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S/c1-13(28-15-7-5-4-6-8-15)20(23)26-12-18-21-19(22-27-18)16-10-9-14(24-2)11-17(16)25-3/h4-11,13H,12H2,1-3H3/t13-/m1/s1