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

Systemtic Name: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]propanoic acid CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]propanoic acid IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 2-[(3Z)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]propionic acid Formula: C21H19FO2S MolecularWeight: 354.437763

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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)C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO2S/c1-12-18(10-14-4-7-16(25-3)8-5-14)17-9-6-15(22)11-19(17)20(12)13(2)21(23)24/h4-11,13H,1-3H3,(H,23,24)/b18-10-