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7VA

Summary
Name:(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
Formula:C20 H19 N3 O4 S
Formal charge:0
Formula weight:397.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
OpenEye OEToolkits2.0.65-[[4-[(6-methoxy-1-methyl-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(CC1C(NC(S1)=O)=O)ccc(c2)OCc4nc3c(cc(cc3)OC)n4C
InChIInChI1.03InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)
InChIKeyInChI1.03XMSXOLDPMGMWTH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)n(C)c2c1
SMILESCACTVS3.385COc1ccc2nc(COc3ccc(C[CH]4SC(=O)NC4=O)cc3)n(C)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC
SMILESOpenEye OEToolkits2.0.6Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC

217705

PDB entries from 2024-03-27

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