piperidin-1-yl 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: piperidin-1-yl 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: 1-piperidyl 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetate CAS Name: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate Traditional Name: 2-[(3E)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid piperidino ester Formula: C25H26FNO3S MolecularWeight: 439.542243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)ON4CCCCC4

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)ON4CCCCC4

InChI

InChI=1S/C25H26FNO3S/c1-17-22(14-18-6-9-20(10-7-18)31(2)29)21-11-8-19(26)15-24(21)23(17)16-25(28)30-27-12-4-3-5-13-27/h6-11,14-15H,3-5,12-13,16H2,1-2H3/b22-14+