1O7

8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

Created:	2021-06-14
Last modified:	2021-12-08

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1 entries where 1O7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

2D diagram of 1O7

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Chemical Component Summary
Name	8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
Systematic Name (OpenEye OEToolkits)	8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula	C₁₃ H₁₁ N O₂ S
Molecular Weight	245.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOc1ccc2C(=O)Nc3sccc3c2c1
SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc2c(c1)-c3ccsc3NC2=O
Canonical SMILES	CACTVS	3.385	CCOc1ccc2C(=O)Nc3sccc3c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc2c(c1)-c3ccsc3NC2=O
InChI	InChI	1.03	InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
InChIKey	InChI	1.03	LKASVOXYBOMEHH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162368296

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