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

Systemtic Name: (3-methylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: m-tolylmethyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid (3-methylbenzyl) ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC=CC=C2SCC3=C(ON=C3C)C

InChI

InChI=1S/C21H21NO3S/c1-14-7-6-8-17(11-14)12-24-21(23)18-9-4-5-10-20(18)26-13-19-15(2)22-25-16(19)3/h4-11H,12-13H2,1-3H3