4-diethoxyphosphoryloxybutyl 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: 4-diethoxyphosphoryloxybutyl 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: 4-diethoxyphosphoryloxybutyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetate CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]acetic acid 4-diethoxyphosphoryloxybutyl ester IUPAC Name: 4-diethoxyphosphoryloxybutyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetate Traditional Name: 2-[(3Z)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid 4-diethoxyphosphoryloxybutyl ester Formula: C28H34FO6PS MolecularWeight: 548.603124

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCCCCOC(=O)CC1=C(C(=CC2=CC=C(C=C2)SC)C3=C1C=C(C=C3)F)C

Isomeric SMILES

CCOP(=O)(OCC)OCCCCOC(=O)CC1=C(/C(=C/C2=CC=C(C=C2)SC)/C3=C1C=C(C=C3)F)C

InChI

InChI=1S/C28H34FO6PS/c1-5-33-36(31,34-6-2)35-16-8-7-15-32-28(30)19-26-20(3)25(24-14-11-22(29)18-27(24)26)17-21-9-12-23(37-4)13-10-21/h9-14,17-18H,5-8,15-16,19H2,1-4H3/b25-17-