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9W6

Summary
Name:ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate
Formula:C15 H12 N4 O4 S2
Formal charge:0
Formula weight:376.41 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate
OpenEye OEToolkits2.0.6ethyl ~{N}-[2-([1,3]thiazolo[4,5-c]pyridin-2-ylcarbonylamino)thiophen-3-yl]carbonylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(OCC)=O)C(=O)c1ccsc1NC(c3sc2ccncc2n3)=O
InChIInChI1.03InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyInChI1.03JCOQDKZVKXILLW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccncc3n2
SMILESCACTVS3.385CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccncc3n2
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2
SMILESOpenEye OEToolkits2.0.6CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2

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PDB entries from 2024-07-24

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