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5EE

Summary
Name:5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:C14 H10 Cl2 N2 O3 S4
Formal charge:0
Formula weight:453.407 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(5R)-5-(3,4-dichlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide
OpenEye OEToolkits1.5.0N-[(5R)-5-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Cl)c(Cl)c2)c3sccc3
SMILES_CANONICALCACTVS3.341Clc1ccc(C[C@H]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl
SMILESCACTVS3.341Clc1ccc(C[CH]2SC(=S)N(N[S](=O)(=O)c3sccc3)C2=O)cc1Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1cc(sc1)S(=O)(=O)NN2C(=O)C(SC2=S)Cc3ccc(c(c3)Cl)Cl
InChIInChI1.03InChI=1S/C14H10Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-6,11,17H,7H2/t11-/m1/s1
InChIKeyInChI1.03GAOOBYJHWAKZKU-LLVKDONJSA-N

218853

PDB entries from 2024-04-24

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