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Summary Geometry Related PDB entries

24E

Summary

Name:	3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one
Formula:	C22 H15 N O3 S
Formal charge:	0
Formula weight:	373.424 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one
OpenEye OEToolkits	1.7.6	3-[(4-hydroxyphenyl)methyl]-1-thiophen-2-yl-2H-chromeno[2,3-c]pyrrol-9-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c4c(Oc2ccccc12)c(nc4c3sccc3)Cc5ccc(O)cc5
InChI	InChI	1.03	InChI=1S/C22H15NO3S/c24-14-9-7-13(8-10-14)12-16-22-19(20(23-16)18-6-3-11-27-18)21(25)15-4-1-2-5-17(15)26-22/h1-11,23-24H,12H2
InChIKey	InChI	1.03	GPIHPADNHDARBD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(Cc2[nH]c(c3sccc3)c4C(=O)c5ccccc5Oc24)cc1
SMILES	CACTVS	3.385	Oc1ccc(Cc2[nH]c(c3sccc3)c4C(=O)c5ccccc5Oc24)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2

222415

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