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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-4,6-dimethyl-3-methylsulfanyl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-methylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-(methylthio)-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-methylsulfanylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-fluoro-4,6-dimethyl-3-(methylthio)indol-2-yl]propionic acid Formula: C21H21ClFNO2S MolecularWeight: 405.913343

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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)SC

Isomeric SMILES

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

InChI

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