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E18

Summary
Name:2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
Formula:C12 H18 N2 O4 S2
Formal charge:0
Formula weight:318.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(dimethylamino)ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate
OpenEye OEToolkits1.6.1[[1-(2-dimethylaminoethylsulfanyl)-2-phenyl-ethylidene]amino] hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(O)O\N=C(/SCCN(C)C)Cc1ccccc1
SMILES_CANONICALCACTVS3.352CN(C)CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O
SMILESCACTVS3.352CN(C)CCSC(Cc1ccccc1)=NO[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.6.1CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1
SMILESOpenEye OEToolkits1.6.1CN(C)CCSC(=NOS(=O)(=O)O)Cc1ccccc1
InChIInChI1.03InChI=1S/C12H18N2O4S2/c1-14(2)8-9-19-12(13-18-20(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16,17)/b13-12-
InChIKeyInChI1.03AJWBDCAFLSUABV-SEYXRHQNSA-N

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PDB entries from 2026-02-04

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