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

Systemtic Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate Formula: C18H15N2O5S- MolecularWeight: 371.3871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C18H16N2O5S/c1-23-14-7-13(8-15(9-14)24-2)16-19-20-18(25-16)26-10-11-3-5-12(6-4-11)17(21)22/h3-9H,10H2,1-2H3,(H,21,22)/p-1