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

Systemtic Name: 2-(2,5-dimethylphenoxy)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 2-(2,5-dimethylphenoxy)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-(2,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,5-dimethylphenoxy)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-(2,5-dimethylphenoxy)ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

InChI

InChI=1S/C21H22N2O4S/c1-14-8-9-15(2)18(12-14)25-10-11-26-21(24)17-6-4-5-7-19(17)28-13-20-22-16(3)23-27-20/h4-9,12H,10-11,13H2,1-3H3