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

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylsulfanylpropanoate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6S/c1-25-16-11-14(12-17(26-2)20(16)27-3)21-23-22-18(29-21)13-28-19(24)9-10-30-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3