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Summary Geometry Related PDB entries

LO7

Summary

Name:	Mitoglitazone
Synonyms:	(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
Formula:	C19 H18 N2 O4 S
Formal charge:	0
Formula weight:	370.422 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
OpenEye OEToolkits	2.0.7	(5~{S})-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxidanylidene-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(OCC(c1ccc(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O
InChI	InChI	1.03	InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m0/s1
InChIKey	InChI	1.03	IRNJSRAGRIZIHD-KRWDZBQOSA-N
SMILES_CANONICAL	CACTVS	3.385	CCc1ccc(nc1)C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2
SMILES	CACTVS	3.385	CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3
SMILES	OpenEye OEToolkits	2.0.7	CCc1ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3

218500

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