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

Systemtic Name: 3-[2-[4-(2-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[2-[1-carboxy-3-(o-tolyl)propoxy]-4-(3-thienylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[2-[1-hydroxy-4-(2-methylphenyl)-1-oxobutan-2-yl]oxy-4-(3-thiophenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[2-[1-hydroxy-4-(2-methylphenyl)-1-oxobutan-2-yl]oxy-4-(thiophen-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[2-[1-carboxy-3-(o-tolyl)propoxy]-4-(3-thenyloxy)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C26H24N2O6S MolecularWeight: 492.54356

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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=NNC(=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O6S/c1-16-4-2-3-5-18(16)6-9-23(26(31)32)34-24-12-19(33-14-17-10-11-35-15-17)7-8-20(24)21-13-22(25(29)30)28-27-21/h2-5,7-8,10-13,15,23H,6,9,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)