SUZ

[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid

Created:	2008-11-18
Last modified:	2020-06-05

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10 entries where SUZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of SUZ

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Chemical Component Summary
Name	[(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Synonyms	SULINDAC
Systematic Name (OpenEye OEToolkits)	2-[(3Z)-6-fluoro-2-methyl-3-[[4-[methylsulfinyl]phenyl]methylidene]inden-1-yl]ethanoic acid
Formula	C₂₀ H₁₇ F O₃ S
Molecular Weight	356.411
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(c1ccc(cc1)/C=C3\c2ccc(F)cc2C(=C3C)CC(=O)O)C
SMILES	CACTVS	3.370	CC1=C(CC(O)=O)c2cc(F)ccc2C1=Cc3ccc(cc3)[S](C)=O
SMILES	OpenEye OEToolkits	1.7.0	CC1=C(c2cc(ccc2C1=Cc3ccc(cc3)S(=O)C)F)CC(=O)O
Canonical SMILES	CACTVS	3.370	CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c3ccc(cc3)[S@@](C)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O
InChI	InChI	1.03	InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-/t25-/m1/s1
InChIKey	InChI	1.03	MLKXDPUZXIRXEP-LQVWSKNFSA-N

Related Resource References

Resource Name	Reference
PubChem	16046677
CCDC/CSD	DOHREX01, DOHREX03
COD	2300125

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.