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A7H

Summary
Name:6-ethoxy-2-methyl-1,3-benzothiazole
Formula:C10 H11 N O S
Formal charge:0
Formula weight:193.265 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-ethoxy-2-methyl-1,3-benzothiazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3
InChIKeyInChI1.03PKRZJVQWLOOWHD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc2nc(C)sc2c1
SMILESCACTVS3.385CCOc1ccc2nc(C)sc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOc1ccc2c(c1)sc(n2)C
SMILESOpenEye OEToolkits2.0.6CCOc1ccc2c(c1)sc(n2)C

221716

PDB entries from 2024-06-26

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