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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-3-phenylsulfanyl-indol-2-yl]ethanoic acid; methane Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanyl-indol-2-yl]acetic acid; methane CAS Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-(phenylthio)-2-indolyl]acetic acid; methane IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-phenylsulfanylindol-2-yl]acetic acid; methane Traditional Name: 2-[1-(4-chlorobenzyl)-5-fluoro-3-(phenylthio)indol-2-yl]acetic acid; methane Formula: C24H21ClFNO2S MolecularWeight: 441.945443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClFNO2S.CH4/c24-16-8-6-15(7-9-16)14-26-20-11-10-17(25)12-19(20)23(21(26)13-22(27)28)29-18-4-2-1-3-5-18;/h1-12H,13-14H2,(H,27,28);1H4