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

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanylbenzoate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C19H18N2O5S/c1-23-13-6-9-15(16(10-13)24-2)18-20-17(26-21-18)11-25-19(22)12-4-7-14(27-3)8-5-12/h4-10H,11H2,1-3H3