[1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] ester Formula: C26H33NO6S2 MolecularWeight: 519.67332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C26H33NO6S2/c1-5-6-15-35(29,30)18-21(16-31-20-13-11-19(12-14-20)26(2,3)4)32-24(28)17-34-25-27-22-9-7-8-10-23(22)33-25/h7-14,21H,5-6,15-18H2,1-4H3