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

Systemtic Name: 2-[(3E)-6-fluoranyl-2-methyl-3-[(2-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-fluoro-2-methyl-3-[(2-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-fluoro-2-methyl-3-[[2-(methylthio)phenyl]methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-fluoro-2-methyl-3-[(2-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-fluoro-2-methyl-3-[2-(methylthio)benzylidene]inden-1-yl]acetic acid Formula: C20H17FO2S MolecularWeight: 340.411183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=CC=C3SC)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=CC=C3SC)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C20H17FO2S/c1-12-16(9-13-5-3-4-6-19(13)24-2)15-8-7-14(21)10-18(15)17(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b16-9+