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DUL

Summary
Name:5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
Formula:C13 H13 N O S2
Formal charge:0
Formula weight:263.378 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.65-(3-ethylsulfanylphenyl)thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15)
InChIKeyInChI1.03TYROLWYYLFWJEG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCSc1cccc(c1)c2sc(cc2)C(N)=O
SMILESCACTVS3.385CCSc1cccc(c1)c2sc(cc2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCSc1cccc(c1)c2ccc(s2)C(=O)N
SMILESOpenEye OEToolkits1.7.6CCSc1cccc(c1)c2ccc(s2)C(=O)N

219140

PDB entries from 2024-05-01

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