3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-4,6-dimethyl-3-phenylsulfanyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-4,6-dimethyl-3-phenylsulfanyl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-phenylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-(phenylthio)-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-phenylsulfanylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-fluoro-4,6-dimethyl-3-(phenylthio)indol-2-yl]propionic acid Formula: C26H23ClFNO2S MolecularWeight: 467.982723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1F)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C1F)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)SC4=CC=CC=C4

InChI

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