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

Systemtic Name: 2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[[1-[[4-(methylthio)phenyl]methyl]-4-pyrazolyl]methoxy-oxomethyl]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[[1-[(4-methylsulfanylphenyl)methyl]pyrazol-4-yl]methoxycarbonyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[[1-[4-(methylthio)benzyl]pyrazol-4-yl]methoxycarbonyl]phenyl]thio]propionic acid Formula: C23H24N2O4S2 MolecularWeight: 456.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H24N2O4S2/c1-23(2,22(27)28)31-20-10-6-18(7-11-20)21(26)29-15-17-12-24-25(14-17)13-16-4-8-19(30-3)9-5-16/h4-12,14H,13,15H2,1-3H3,(H,27,28)