2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCOC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCOC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H18N2O5S/c1-23-15-9-8-14(12-16(15)24-2)17-20-21-19(26-17)27-11-10-25-18(22)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3