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MC5

Summary
Name:(5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione
Synonyms:Netoglitazone
Formula:C21 H16 F N O3 S
Formal charge:0
Formula weight:381.42 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione
OpenEye OEToolkits1.7.2(5S)-5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccccc1COc3ccc2cc(ccc2c3)CC4SC(=O)NC4=O
InChIInChI1.03InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)/t19-/m0/s1
InChIKeyInChI1.03PKWDZWYVIHVNKS-IBGZPJMESA-N
SMILES_CANONICALCACTVS3.370Fc1ccccc1COc2ccc3cc(C[C@@H]4SC(=O)NC4=O)ccc3c2
SMILESCACTVS3.370Fc1ccccc1COc2ccc3cc(C[CH]4SC(=O)NC4=O)ccc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F
SMILESOpenEye OEToolkits1.7.2c1ccc(c(c1)COc2ccc3cc(ccc3c2)CC4C(=O)NC(=O)S4)F

219140

PDB entries from 2024-05-01

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