J25

diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate

Created:	2011-07-08
Last modified:	2011-07-08

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1 entries where J25 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	10

2D diagram of J25

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Chemical Component Summary
Name	diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
Systematic Name (OpenEye OEToolkits)	diethyl 2-(2-thiophen-2-ylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Formula	C₁₉ H₂₂ N₂ O₅ S₂
Molecular Weight	422.518
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)N2Cc1sc(c(c1CC2)C(=O)OCC)NC(=O)Cc3sccc3
SMILES	CACTVS	3.370	CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OCC
SMILES	OpenEye OEToolkits	1.7.2	CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC
Canonical SMILES	CACTVS	3.370	CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OCC
Canonical SMILES	OpenEye OEToolkits	1.7.2	CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC
InChI	InChI	1.03	InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
InChIKey	InChI	1.03	ZDMGIZFQKKDWAO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1922946
PubChem	30515311
ChEMBL	CHEMBL1922946

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