2-methyl-5-[2-[4-(2-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-4-(thiophen-3-ylmethoxy)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[2-[4-(2-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-4-(thiophen-3-ylmethoxy)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-[2-[1-carboxy-3-(o-tolyl)propoxy]-4-(3-thienylmethoxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[2-[1-hydroxy-4-(2-methylphenyl)-1-oxobutan-2-yl]oxy-4-(3-thiophenylmethoxy)phenyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[2-[1-hydroxy-4-(2-methylphenyl)-1-oxobutan-2-yl]oxy-4-(thiophen-3-ylmethoxy)phenyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-[2-[1-carboxy-3-(o-tolyl)propoxy]-4-(3-thenyloxy)phenyl]-2-methyl-pyrazole-3-carboxylic acid Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NN(C(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NN(C(=C4)C(=O)O)C

InChI

InChI=1S/C27H26N2O6S/c1-17-5-3-4-6-19(17)7-10-24(27(32)33)35-25-13-20(34-15-18-11-12-36-16-18)8-9-21(25)22-14-23(26(30)31)29(2)28-22/h3-6,8-9,11-14,16,24H,7,10,15H2,1-2H3,(H,30,31)(H,32,33)