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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-phenylsulfanyl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(phenylthio)-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-fluoro-3-(phenylthio)indol-2-yl]propionic acid Formula: C24H19ClFNO2S MolecularWeight: 439.929563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)F)CC4=CC=C(C=C4)Cl)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)F)CC4=CC=C(C=C4)Cl)CCC(=O)O

InChI

InChI=1S/C24H19ClFNO2S/c25-17-8-6-16(7-9-17)15-27-21-11-10-18(26)14-20(21)24(22(27)12-13-23(28)29)30-19-4-2-1-3-5-19/h1-11,14H,12-13,15H2,(H,28,29)