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

Systemtic Name: (2,5-dimethylphenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (2,5-dimethylphenyl)methyl 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 (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 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 (2,5-dimethylbenzyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-13-8-9-14(2)16(10-13)11-24-20(23)17-6-4-5-7-18(17)26-12-19-21-15(3)22-25-19/h4-10H,11-12H2,1-3H3