(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CSC2=NC3=CC=CC=C3O2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CSC2=NC3=CC=CC=C3O2)C)C(C)(C)C

InChI

InChI=1S/C22H25NO3S/c1-14-10-16(22(3,4)5)11-15(2)17(14)12-25-20(24)13-27-21-23-18-8-6-7-9-19(18)26-21/h6-11H,12-13H2,1-5H3