2-(4-ethoxyphenoxy)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

InChI

InChI=1S/C21H22N2O5S/c1-3-25-16-8-10-17(11-9-16)26-12-13-27-21(24)18-6-4-5-7-19(18)29-14-20-22-15(2)23-28-20/h4-11H,3,12-14H2,1-2H3