56E

ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate

Created:	2015-08-04
Last modified:	2016-08-03

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1 entries where 56E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	5

2D diagram of 56E

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Chemical Component Summary
Name	ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate
Systematic Name (OpenEye OEToolkits)	ethyl 2-[(5-methylthiophen-3-yl)carbonylamino]ethanoate
Formula	C₁₀ H₁₃ N O₃ S
Molecular Weight	227.28
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1csc(c1)C)(=O)NCC(=O)OCC
SMILES	CACTVS	3.385	CCOC(=O)CNC(=O)c1csc(C)c1
SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CNC(=O)c1cc(sc1)C
Canonical SMILES	CACTVS	3.385	CCOC(=O)CNC(=O)c1csc(C)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CNC(=O)c1cc(sc1)C
InChI	InChI	1.03	InChI=1S/C10H13NO3S/c1-3-14-9(12)5-11-10(13)8-4-7(2)15-6-8/h4,6H,3,5H2,1-2H3,(H,11,13)
InChIKey	InChI	1.03	PMDIXZXNNWYFNT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2971321

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