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JL4

Summary
Name:5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
Formula:C9 H7 N O2 S2
Formal charge:0
Formula weight:225.287 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
OpenEye OEToolkits2.0.65-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(ccc(c1nc(C)sc1)s2)C(=O)O
InChIInChI1.03InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyInChI1.03AEDWMWQOFJYAGN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1scc(n1)c2sc(cc2)C(O)=O
SMILESCACTVS3.385Cc1scc(n1)c2sc(cc2)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1nc(cs1)c2ccc(s2)C(=O)O
SMILESOpenEye OEToolkits2.0.6Cc1nc(cs1)c2ccc(s2)C(=O)O

217705

PDB entries from 2024-03-27

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