2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-propan-2-ylsulfanyl-indol-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-propan-2-ylsulfanyl-indol-2-yl]ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-isopropylsulfanyl-indol-2-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(propan-2-ylthio)-2-indolyl]acetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-propan-2-ylsulfanylindol-2-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzyl)-5-fluoro-3-(isopropylthio)indol-2-yl]acetic acid Formula: C20H19ClFNO2S MolecularWeight: 391.886763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC(C)SC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C20H19ClFNO2S/c1-12(2)26-20-16-9-15(22)7-8-17(16)23(18(20)10-19(24)25)11-13-3-5-14(21)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,24,25)