2-[(3E)-5-cyano-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-5-cyano-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-5-cyano-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-5-cyano-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-5-cyano-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-5-cyano-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C21H16FNO3S MolecularWeight: 381.420043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=C(C(=C2)F)C#N)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO3S/c1-12-16(7-13-3-5-15(6-4-13)27(2)26)18-8-14(11-23)20(22)9-19(18)17(12)10-21(24)25/h3-9H,10H2,1-2H3,(H,24,25)/b16-7+