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

Systemtic Name: 2-[(3E)-5-fluoranyl-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-5-fluoro-6-methoxy-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C21H19FO4S MolecularWeight: 386.436563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2C1=CC3=CC=C(C=C3)S(=O)C)F)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO4S/c1-12-15(8-13-4-6-14(7-5-13)27(3)25)17-9-19(22)20(26-2)10-18(17)16(12)11-21(23)24/h4-10H,11H2,1-3H3,(H,23,24)/b15-8+