1-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]butan-2-one

Systemtic Name: 1-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]butan-2-one Openeye Name: 1-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]butan-2-one CAS Name: 1-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]-2-butanone IUPAC Name: 1-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]butan-2-one Traditional Name: 1-[(3Z)-5-fluoro-3-[mesyl(phenyl)methylene]-6-methoxy-2-methyl-inden-1-yl]butan-2-one Formula: C23H23FO4S MolecularWeight: 414.489723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=C(C(=C(C2=CC=CC=C2)S(=O)(=O)C)C3=CC(=C(C=C31)OC)F)C

Isomeric SMILES

CCC(=O)CC1=C(/C(=C(\C2=CC=CC=C2)/S(=O)(=O)C)/C3=CC(=C(C=C31)OC)F)C

InChI

InChI=1S/C23H23FO4S/c1-5-16(25)11-17-14(2)22(19-12-20(24)21(28-3)13-18(17)19)23(29(4,26)27)15-9-7-6-8-10-15/h6-10,12-13H,5,11H2,1-4H3/b23-22-