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Summary Geometry Related PDB entries

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Summary

Name:	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
Formula:	C18 H24 N2 O4 S2
Formal charge:	0
Formula weight:	396.524 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H24N2O4S2/c1-4-24-18(21)11-17-20-16(12-25-17)14-5-7-15(8-6-14)26(22,23)19-10-9-13(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3
InChIKey	InChI	1.03	BNWOHTVYARXZJA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C
SMILES	CACTVS	3.385	CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C

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