(4-tert-butylphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-tert-butylbenzyl) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21NO3S/c1-20(2,3)15-10-8-14(9-11-15)12-23-18(22)13-25-19-21-16-6-4-5-7-17(16)24-19/h4-11H,12-13H2,1-3H3