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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-methylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(methylthio)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylsulfanylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-fluoro-3-(methylthio)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C21H21ClFNO2S MolecularWeight: 405.913343

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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)SC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFNO2S/c1-21(2,20(25)26)11-18-19(27-3)16-10-15(23)8-9-17(16)24(18)12-13-4-6-14(22)7-5-13/h4-10H,11-12H2,1-3H3,(H,25,26)