2-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]propanoic acid

Systemtic Name: 2-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]propanoic acid CAS Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]propanoic acid IUPAC Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 2-[(3Z)-5-fluoro-3-[mesyl(phenyl)methylene]-6-methoxy-2-methyl-inden-1-yl]propionic acid Formula: C22H21FO5S MolecularWeight: 416.462543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2C1=C(C3=CC=CC=C3)S(=O)(=O)C)F)OC)C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21FO5S/c1-12-19(13(2)22(24)25)16-11-18(28-3)17(23)10-15(16)20(12)21(29(4,26)27)14-8-6-5-7-9-14/h5-11,13H,1-4H3,(H,24,25)/b21-20-