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ET7

Summary
Name:~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
Formula:C23 H19 F N2 O2 S
Formal charge:0
Formula weight:406.473 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27)
InChIKeyInChI1.06HMFFZASNCXIJTL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13
SMILESCACTVS3.385CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)Cc4ccc(cc4)F
SMILESOpenEye OEToolkits2.0.7CCN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)Cc4ccc(cc4)F

224931

数据于2024-09-11公开中

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