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

Systemtic Name: phenyl 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-20(2,3)16-11-9-15(10-12-16)18-21-22-19(25-18)27-13-14-28(23,24)26-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3