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T1D

Summary
Name:5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
Formula:C15 H14 N2 O4 S
Formal charge:0
Formula weight:318.348 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
OpenEye OEToolkits1.5.05-(2-methoxy-5-phenyl-phenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S3(=O)NC(=O)CN3c2c(OC)ccc(c1ccccc1)c2
SMILES_CANONICALCACTVS3.341COc1ccc(cc1N2CC(=O)N[S]2(=O)=O)c3ccccc3
SMILESCACTVS3.341COc1ccc(cc1N2CC(=O)N[S]2(=O)=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3
InChIInChI1.03InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKeyInChI1.03IGXKSKWHHHYBFM-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

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