RWY

2-(4-phenoxyphenoxy)ethyl thiocyanate

Created:	2011-05-11
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where RWY is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of RWY

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-(4-phenoxyphenoxy)ethyl thiocyanate
Systematic Name (OpenEye OEToolkits)	2-(4-phenoxyphenoxy)ethyl thiocyanate
Formula	C₁₅ H₁₃ N O₂ S
Molecular Weight	271.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#CSCCOc2ccc(Oc1ccccc1)cc2
SMILES	CACTVS	3.370	N#CSCCOc1ccc(Oc2ccccc2)cc1
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)Oc2ccc(cc2)OCCSC#N
Canonical SMILES	CACTVS	3.370	N#CSCCOc1ccc(Oc2ccccc2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)Oc2ccc(cc2)OCCSC#N
InChI	InChI	1.03	InChI=1S/C15H13NO2S/c16-12-19-11-10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKey	InChI	1.03	YQZHGQYIMXWEHI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10265208
ChEMBL	CHEMBL39581
CCDC/CSD	BEGLUX

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.