7EN

(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one

Created:	2016-10-15
Last modified:	2017-01-18

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1 entries where 7EN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	12

2D diagram of 7EN

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Chemical Component Summary
Name	(1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one
Systematic Name (OpenEye OEToolkits)	3-chloranyl-4-[2-(2-chloranyl-4-oxidanyl-phenyl)-1-oxidanylidene-thiophen-3-yl]phenol
Formula	C₁₆ H₁₀ Cl₂ O₃ S
Molecular Weight	353.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(c(c1)Cl)C=2S(C=CC=2c3c(Cl)cc(cc3)O)=O
SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)C2=C(c3ccc(O)cc3Cl)[S](=O)C=C2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)C2=C(c3ccc(O)cc3Cl)[S@@](=O)C=C2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O
InChI	InChI	1.03	InChI=1S/C16H10Cl2O3S/c17-14-7-9(19)1-3-11(14)12-5-6-22(21)16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H
InChIKey	InChI	1.03	UXPFSXONZPFVSC-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.