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

Systemtic Name: but-3-ynyl 2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: but-3-ynyl 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 but-3-ynyl ester IUPAC Name: but-3-ynyl 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 but-3-ynyl ester Formula: C24H21FO3S MolecularWeight: 408.485143

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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)OCCC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H21FO3S/c1-4-5-12-28-24(26)15-22-16(2)21(20-11-8-18(25)14-23(20)22)13-17-6-9-19(10-7-17)29(3)27/h1,6-11,13-14H,5,12,15H2,2-3H3/b21-13+