3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-phenylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-phenylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(phenylthio)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-fluoro-3-(phenylthio)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C26H23ClFNO2S MolecularWeight: 467.982723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H23ClFNO2S/c1-26(2,25(30)31)15-23-24(32-20-6-4-3-5-7-20)21-14-19(28)12-13-22(21)29(23)16-17-8-10-18(27)11-9-17/h3-14H,15-16H2,1-2H3,(H,30,31)