methyl 2-methyl-5-[4-(2-methylphenyl)-1-oxidanylidene-1-[3-(thiophen-3-ylmethoxy)phenyl]peroxy-butan-2-yl]pyrazole-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[4-(2-methylphenyl)-1-oxidanylidene-1-[3-(thiophen-3-ylmethoxy)phenyl]peroxy-butan-2-yl]pyrazole-3-carboxylate Openeye Name: methyl 2-methyl-5-[3-(o-tolyl)-1-[3-(3-thienylmethoxy)phenyl]peroxycarbonyl-propyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[4-(2-methylphenyl)-1-oxo-1-[3-(3-thiophenylmethoxy)phenyl]dioxybutan-2-yl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[4-(2-methylphenyl)-1-oxo-1-[3-(thiophen-3-ylmethoxy)phenyl]peroxybutan-2-yl]pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[3-(o-tolyl)-1-[3-(3-thenyloxy)phenyl]peroxycarbonyl-propyl]pyrazole-3-carboxylic acid methyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C2=NN(C(=C2)C(=O)OC)C)C(=O)OOC3=CC=CC(=C3)OCC4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1CCC(C2=NN(C(=C2)C(=O)OC)C)C(=O)OOC3=CC=CC(=C3)OCC4=CSC=C4

InChI

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