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Summary Geometry Related PDB entries

YA0

Summary

Name:	(5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Formula:	C20 H18 N2 O2 S
Formal charge:	0
Formula weight:	350.434 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5Z)-5-[(4-phenoxyphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
OpenEye OEToolkits	2.0.7	(5~{Z})-5-[(4-phenoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C(S\C1=C/c1ccc(Oc2ccccc2)cc1)N1CCCC1
InChI	InChI	1.06	InChI=1S/C20H18N2O2S/c23-19-18(25-20(21-19)22-12-4-5-13-22)14-15-8-10-17(11-9-15)24-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2
InChIKey	InChI	1.06	ZNCNWNBJDFDULT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C\1N=C(SC\1=C\c2ccc(Oc3ccccc3)cc2)N4CCCC4
SMILES	CACTVS	3.385	O=C1N=C(SC1=Cc2ccc(Oc3ccccc3)cc2)N4CCCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2ccc(cc2)/C=C\3/C(=O)N=C(S3)N4CCCC4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2ccc(cc2)C=C3C(=O)N=C(S3)N4CCCC4

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