4-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]butanoic acid

Systemtic Name: 4-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]butanoic acid Openeye Name: 4-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]butanoic acid CAS Name: 4-[(3E)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]butanoic acid IUPAC Name: 4-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]butanoic acid Traditional Name: 4-[(3E)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]butyric acid Formula: C22H21FO2S MolecularWeight: 368.464343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CCCC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)SC)C=CC(=C2)F)CCCC(=O)O

InChI

InChI=1S/C22H21FO2S/c1-14-18(4-3-5-22(24)25)21-13-16(23)8-11-19(21)20(14)12-15-6-9-17(26-2)10-7-15/h6-13H,3-5H2,1-2H3,(H,24,25)/b20-12+