VWV

ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate

Created:	2020-09-17
Last modified:	2020-09-30

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3 entries where VWV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	0

2D diagram of VWV

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Chemical Component Summary
Name	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
Systematic Name (OpenEye OEToolkits)	ethyl 2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]ethanoate
Formula	C₈ H₁₅ N O₄ S
Molecular Weight	221.274
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CC(OCC)=O)CCS(CC1)(=O)=O
SMILES	CACTVS	3.385	CCOC(=O)CN1CC[S](=O)(=O)CC1
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)CN1CCS(=O)(=O)CC1
Canonical SMILES	CACTVS	3.385	CCOC(=O)CN1CC[S](=O)(=O)CC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)CN1CCS(=O)(=O)CC1
InChI	InChI	1.03	InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
InChIKey	InChI	1.03	KWVBKMSCALADDC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2763377
ChEMBL	CHEMBL1308529

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.