3-[5-fluoranyl-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid

Systemtic Name: 3-[5-fluoranyl-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid Openeye Name: 3-[5-fluoro-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid CAS Name: 3-[5-fluoro-3-methyl-1-[[4-(methylthio)phenyl]methyl]-2-indolyl]propanoic acid IUPAC Name: 3-[5-fluoro-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid Traditional Name: 3-[5-fluoro-3-methyl-1-[4-(methylthio)benzyl]indol-2-yl]propionic acid Formula: C20H20FNO2S MolecularWeight: 357.441703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)SC)CCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)F)CC3=CC=C(C=C3)SC)CCC(=O)O

InChI

InChI=1S/C20H20FNO2S/c1-13-17-11-15(21)5-8-19(17)22(18(13)9-10-20(23)24)12-14-3-6-16(25-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)