RCX

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Summary

Name:Rofecoxib
Synonyms:Vioxx
Formula:C17 H14 O4 S
Formal charge:0
Molecular weight:314.356 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.53-(4-methylsulfonylphenyl)-4-phenyl-2~{H}-furan-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyInChI1.03RZJQGNCSTQAWON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
SMILESCACTVS3.385C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.5CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
SMILESOpenEye OEToolkits2.0.5CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
170172
PDB entries from 2020-10-21