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A1ERK

Summary
Name:~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-[(5-phenoxythiophen-2-yl)methyl]ethanamide
Formula:C17 H18 Cl N O4 S2
Formal charge:0
Formula weight:399.912 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-[(5-phenoxythiophen-2-yl)methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H18ClNO4S2/c18-10-16(20)19(13-8-9-25(21,22)12-13)11-15-6-7-17(24-15)23-14-4-2-1-3-5-14/h1-7,13H,8-12H2/t13-/m1/s1
InChIKeyInChI1.06BNZFQRAUQNVPOA-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)N(Cc1sc(Oc2ccccc2)cc1)[C@@H]3CC[S](=O)(=O)C3
SMILESCACTVS3.385ClCC(=O)N(Cc1sc(Oc2ccccc2)cc1)[CH]3CC[S](=O)(=O)C3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccc(s2)CN([C@@H]3CCS(=O)(=O)C3)C(=O)CCl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccc(s2)CN(C3CCS(=O)(=O)C3)C(=O)CCl

254917

PDB entries from 2026-06-10

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