774

6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide

Created:	2016-09-08
Last modified:	2017-01-11

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1 entries where 774 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	11

2D diagram of 774

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Chemical Component Summary
Name	6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide
Formula	C₁₂ H₁₀ N₂ O₂ S
Molecular Weight	246.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc2OCCc3ccsc3c2n1
SMILES	OpenEye OEToolkits	2.0.5	c1cc(nc-2c1OCCc3c2scc3)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc2OCCc3ccsc3c2n1
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(nc-2c1OCCc3c2scc3)C(=O)N
InChI	InChI	1.03	InChI=1S/C12H10N2O2S/c13-12(15)8-1-2-9-10(14-8)11-7(3-5-16-9)4-6-17-11/h1-2,4,6H,3,5H2,(H2,13,15)
InChIKey	InChI	1.03	JQCNDFJWLIDNDO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	123132912
ChEMBL	CHEMBL4086137

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