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Summary Geometry Related PDB entries

9EN

Summary

Name:	~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
Formula:	C16 H20 F N3 O3 S
Formal charge:	0
Formula weight:	353.412 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey	InChI	1.03	FNDDDNOJWPQCBZ-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2
SMILES	CACTVS	3.385	CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3

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