(4-ethoxyphenyl)methyl (2Z,6E)-2-ethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dieneperoxoate

Systemtic Name: (4-ethoxyphenyl)methyl (2Z,6E)-2-ethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dieneperoxoate Openeye Name: (4-ethoxyphenyl)methyl (2Z,6E)-2-ethyl-7-(2-methylthiazol-4-yl)hepta-2,6-dieneperoxoate CAS Name: (2Z,6E)-2-ethyl-7-(2-methyl-4-thiazolyl)hepta-2,6-dieneperoxoic acid (4-ethoxyphenyl)methyl ester IUPAC Name: (4-ethoxyphenyl)methyl (2Z,6E)-2-ethyl-7-(2-methyl-1,3-thiazol-4-yl)hepta-2,6-dieneperoxoate Traditional Name: (2Z,6E)-2-ethyl-7-(2-methylthiazol-4-yl)hepta-2,6-dieneperoxoic acid (4-ethoxybenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCC=CC1=CSC(=N1)C)C(=O)OOCC2=CC=C(C=C2)OCC

Isomeric SMILES

CC/C(=C/CC/C=C/C1=CSC(=N1)C)/C(=O)OOCC2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H27NO4S/c1-4-19(9-7-6-8-10-20-16-28-17(3)23-20)22(24)27-26-15-18-11-13-21(14-12-18)25-5-2/h8-14,16H,4-7,15H2,1-3H3/b10-8+,19-9-