phenyl 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(O2)SCCS(=O)(=O)OC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(O2)SCCS(=O)(=O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C18H18N2O6S2/c1-23-15-10-13(11-16(12-15)24-2)17-19-20-18(25-17)27-8-9-28(21,22)26-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3