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

Systemtic Name: (2-methyl-4-propan-2-yl-phenyl) 2-(4-methoxyphenyl)-3-oxidanylidene-2-(1,3-thiazol-5-ylmethyl)pentaneperoxoate Openeye Name: (4-isopropyl-2-methyl-phenyl) 2-(4-methoxyphenyl)-3-oxo-2-(thiazol-5-ylmethyl)pentaneperoxoate CAS Name: 2-(4-methoxyphenyl)-3-oxo-2-(5-thiazolylmethyl)pentaneperoxoic acid (2-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-4-propan-2-ylphenyl) 2-(4-methoxyphenyl)-3-oxo-2-(1,3-thiazol-5-ylmethyl)pentaneperoxoate Traditional Name: 3-keto-2-(4-methoxyphenyl)-2-(thiazol-5-ylmethyl)peroxyvaleric acid (4-isopropyl-2-methyl-phenyl) ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CN=CS1)(C2=CC=C(C=C2)OC)C(=O)OOC3=C(C=C(C=C3)C(C)C)C

Isomeric SMILES

CCC(=O)C(CC1=CN=CS1)(C2=CC=C(C=C2)OC)C(=O)OOC3=C(C=C(C=C3)C(C)C)C

InChI

InChI=1S/C26H29NO5S/c1-6-24(28)26(14-22-15-27-16-33-22,20-8-10-21(30-5)11-9-20)25(29)32-31-23-12-7-19(17(2)3)13-18(23)4/h7-13,15-17H,6,14H2,1-5H3