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

Systemtic Name: (4-tert-butylphenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (4-tert-butylphenyl)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 (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)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 (4-tert-butylbenzyl) ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N2O3S/c1-15-23-20(27-24-15)14-28-19-8-6-5-7-18(19)21(25)26-13-16-9-11-17(12-10-16)22(2,3)4/h5-12H,13-14H2,1-4H3