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

Systemtic Name: methyl 3-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-24-15-9-14(10-16(25-2)17(15)26-3)18-21-22-20(28-18)29-11-12-6-5-7-13(8-12)19(23)27-4/h5-10H,11H2,1-4H3