ethyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-[2-[4-(o-tolyl)butanoylperoxy]-4-(3-thienylmethoxy)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-[2-[4-(2-methylphenyl)-1-oxobutyl]dioxy-4-(3-thiophenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(2-methylphenyl)butanoylperoxy]-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-[2-[4-(o-tolyl)butanoylperoxy]-4-(3-thenyloxy)phenyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CSC=C3)OOC(=O)CCCC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OCC3=CSC=C3)OOC(=O)CCCC4=CC=CC=C4C

InChI

InChI=1S/C28H28N2O6S/c1-3-33-28(32)25-16-24(29-30-25)23-12-11-22(34-17-20-13-14-37-18-20)15-26(23)35-36-27(31)10-6-9-21-8-5-4-7-19(21)2/h4-5,7-8,11-16,18H,3,6,9-10,17H2,1-2H3,(H,29,30)