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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-4,6-dimethyl-3-methylsulfanyl-indol-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-methylsulfanyl-indol-2-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-(methylthio)-2-indolyl]acetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-4,6-dimethyl-3-methylsulfanylindol-2-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzyl)-5-fluoro-4,6-dimethyl-3-(methylthio)indol-2-yl]acetic acid Formula: C20H19ClFNO2S MolecularWeight: 391.886763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFNO2S/c1-11-8-15-18(12(2)19(11)22)20(26-3)16(9-17(24)25)23(15)10-13-4-6-14(21)7-5-13/h4-8H,9-10H2,1-3H3,(H,24,25)