2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[[1-[[4-(methylthio)phenyl]methyl]-4-pyrazolyl]methoxy-oxomethyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[[1-[4-(methylthio)benzyl]pyrazol-4-yl]methoxycarbonyl]phenoxy]propionic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H24N2O5S/c1-23(2,22(27)28)30-19-8-6-18(7-9-19)21(26)29-15-17-12-24-25(14-17)13-16-4-10-20(31-3)11-5-16/h4-12,14H,13,15H2,1-3H3,(H,27,28)