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

Systemtic Name: methyl 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]-4-methoxy-benzoate Openeye Name: methyl 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]-4-methoxy-benzoate CAS Name: 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-mercaptomethyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-sulfanylmethyl]-4-methoxybenzoate Traditional Name: 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-mercapto-methyl]-4-methoxy-benzoic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C(C3=C(C=CC(=C3)C(=O)OC)OC)S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C(C3=C(C=CC(=C3)C(=O)OC)OC)S

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)15-9-6-13(7-10-15)19-23-24-20(28-19)18(29)16-12-14(21(25)27-5)8-11-17(16)26-4/h6-12,18,29H,1-5H3