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Summary Geometry Related PDB entries

N24

Summary

Name:	(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
Formula:	C15 H11 Br Cl N O2 S
Formal charge:	0
Formula weight:	384.675 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
OpenEye OEToolkits	1.5.0	(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxy-phenyl)-1,3-thiazolidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3cc(N2C(=O)CSC2c1cc(Br)ccc1)c(O)cc3
SMILES_CANONICAL	CACTVS	3.341	Oc1ccc(Cl)cc1N2[C@@H](SCC2=O)c3cccc(Br)c3
SMILES	CACTVS	3.341	Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Br)C2N(C(=O)CS2)c3cc(ccc3O)Cl
InChI	InChI	1.03	InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1
InChIKey	InChI	1.03	KEGQNJITMFBVAC-HNNXBMFYSA-N

223532

數據於2024-08-07公開中

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