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

Systemtic Name: phenyl 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[(5-p-anisyl-1,3,4-oxadiazol-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(O2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(O2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5S2/c1-23-15-9-7-14(8-10-15)13-17-19-20-18(24-17)26-11-12-27(21,22)25-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3