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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfanylbenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-4-28-17-8-6-5-7-14(17)20(23)26-12-18-21-19(22-27-18)13-9-10-15(24-2)16(11-13)25-3/h5-11H,4,12H2,1-3H3