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

Systemtic Name: 3-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(5-veratryl-1,3,4-oxadiazol-2-yl)thio]methyl]benzoate Formula: C19H17N2O5S- MolecularWeight: 385.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)[O-])OC

InChI

InChI=1S/C19H18N2O5S/c1-24-15-7-6-12(9-16(15)25-2)10-17-20-21-19(26-17)27-11-13-4-3-5-14(8-13)18(22)23/h3-9H,10-11H2,1-2H3,(H,22,23)/p-1