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

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfinyl-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfinyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-(4-tert-butylphenoxy)-3-butylsulfinylpropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfinylpropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfinyl-ethyl] ester Formula: C26H33NO4S3 MolecularWeight: 519.73952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCS(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C26H33NO4S3/c1-5-6-15-34(29)18-21(16-30-20-13-11-19(12-14-20)26(2,3)4)31-24(28)17-32-25-27-22-9-7-8-10-23(22)33-25/h7-14,21H,5-6,15-18H2,1-4H3