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ORJ

Summary
Name:2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide
Formula:C16 H13 F N2 O3 S
Formal charge:0
Formula weight:332.349 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide
OpenEye OEToolkits2.0.72-[4-[(6-fluoranyl-1,3-benzothiazol-2-yl)oxy]-2-oxidanyl-phenyl]-~{N}-methyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F
InChIInChI1.03InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21)
InChIKeyInChI1.03VNVALNOVDDOJNH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O
SMILESCACTVS3.385CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F
SMILESOpenEye OEToolkits2.0.7CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F

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數據於2024-07-17公開中

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