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Summary Geometry Related PDB entries

A1IAH

Summary

Name:	[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-(3-propan-2-ylphenyl)methanone
Synonyms:	[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](3-isopropylphenyl)methanone
Formula:	C24 H20 O3 S
Formal charge:	0
Formula weight:	388.479 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-(3-propan-2-ylphenyl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H20O3S/c1-14(2)16-4-3-5-17(12-16)23(27)22-20-11-10-19(26)13-21(20)28-24(22)15-6-8-18(25)9-7-15/h3-14,25-26H,1-2H3
InChIKey	InChI	1.06	MHSKHVGZTKCKMM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1cccc(c1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4
SMILES	CACTVS	3.385	CC(C)c1cccc(c1)C(=O)c2c(sc3cc(O)ccc23)c4ccc(O)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)c1cccc(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1cccc(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O

246905

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