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

Systemtic Name: 3-[(3E)-6-fluoranyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]oxy-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[(3E)-6-fluoro-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]oxy-2-methyl-3-oxo-propanoic acid CAS Name: 3-[[(3E)-6-fluoro-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]oxy]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[(3E)-6-fluoro-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]oxy-2-methyl-3-oxopropanoic acid Traditional Name: 3-[(3E)-6-fluoro-3-[4-(methylthio)benzylidene]inden-1-yl]oxy-3-keto-2-methyl-propionic acid Formula: C21H17FO4S MolecularWeight: 384.420683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C(=O)OC1=CC(=CC2=CC=C(C=C2)SC)C3=C1C=C(C=C3)F

Isomeric SMILES

CC(C(=O)O)C(=O)OC1=C/C(=C\C2=CC=C(C=C2)SC)/C3=C1C=C(C=C3)F

InChI

InChI=1S/C21H17FO4S/c1-12(20(23)24)21(25)26-19-10-14(17-8-5-15(22)11-18(17)19)9-13-3-6-16(27-2)7-4-13/h3-12H,1-2H3,(H,23,24)/b14-9+