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9T2

Summary
Name:ethyl ~{N}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate
Formula:C16 H12 F N3 O4 S2
Formal charge:0
Formula weight:393.413 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl ~{N}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H12FN3O4S2/c1-2-24-16(23)20-12(21)8-7-11(17)26-14(8)19-13(22)15-18-9-5-3-4-6-10(9)25-15/h3-7H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyInChI1.03QMDPRTOSNLYXIQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c2sc3ccccc3n2
SMILESCACTVS3.385CCOC(=O)NC(=O)c1cc(F)sc1NC(=O)c2sc3ccccc3n2
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F
SMILESOpenEye OEToolkits2.0.6CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F

218500

PDB entries from 2024-04-17

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