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

Systemtic Name: (4-tert-butylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: (4-tert-butylphenyl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid (4-tert-butylbenzyl) ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H27NO3S/c1-16-21(17(2)28-25-16)15-29-22-9-7-6-8-20(22)23(26)27-14-18-10-12-19(13-11-18)24(3,4)5/h6-13H,14-15H2,1-5H3