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1W6

Summary
Name:ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
Formula:C16 H13 N3 O4 S2
Formal charge:0
Formula weight:375.422 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
OpenEye OEToolkits1.7.6ethyl N-[2-(1,3-benzothiazol-2-ylcarbonylamino)thiophen-3-yl]carbonylcarbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2
InChIInChI1.03InChI=1S/C16H13N3O4S2/c1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15/h3-8H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyInChI1.03ISNBJLXHBBZKSL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccccc3n2
SMILESCACTVS3.385CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccccc3n2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2
SMILESOpenEye OEToolkits1.7.6CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2

223532

数据于2024-08-07公开中

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