(2-methyl-4-propan-2-yl-phenyl) 2-(4-butylphenyl)-3-oxidanylidene-2-(1,3-thiazol-5-yl)pentaneperoxoate

Systemtic Name: (2-methyl-4-propan-2-yl-phenyl) 2-(4-butylphenyl)-3-oxidanylidene-2-(1,3-thiazol-5-yl)pentaneperoxoate Openeye Name: (4-isopropyl-2-methyl-phenyl) 2-(4-butylphenyl)-3-oxo-2-thiazol-5-yl-pentaneperoxoate CAS Name: 2-(4-butylphenyl)-3-oxo-2-(5-thiazolyl)pentaneperoxoic acid (2-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-4-propan-2-ylphenyl) 2-(4-butylphenyl)-3-oxo-2-(1,3-thiazol-5-yl)pentaneperoxoate Traditional Name: 2-(4-butylphenyl)-3-keto-2-thiazol-5-yl-peroxyvaleric acid (4-isopropyl-2-methyl-phenyl) ester Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CN=CS2)(C(=O)CC)C(=O)OOC3=C(C=C(C=C3)C(C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CN=CS2)(C(=O)CC)C(=O)OOC3=C(C=C(C=C3)C(C)C)C

InChI

InChI=1S/C28H33NO4S/c1-6-8-9-21-10-13-23(14-11-21)28(25(30)7-2,26-17-29-18-34-26)27(31)33-32-24-15-12-22(19(3)4)16-20(24)5/h10-19H,6-9H2,1-5H3