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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NN(C(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1CCCC(=O)OOC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NN(C(=C4)C(=O)OC)C

InChI

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