C8Q

(3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

Created:	2017-11-20
Last modified:	2018-05-02

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1 entries where C8Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	11

2D diagram of C8Q

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Chemical Component Summary
Name	(3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
Formula	C₂₀ H₁₇ N O₄ S
Molecular Weight	367.418
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	COC1=C2N(C(CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4
Canonical SMILES	CACTVS	3.385	COC1=C2SC[C@H](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4
InChI	InChI	1.03	InChI=1S/C20H17NO4S/c1-25-18-14(9-13-7-4-6-12-5-2-3-8-15(12)13)10-17(22)21-16(20(23)24)11-26-19(18)21/h2-8,10,16H,9,11H2,1H3,(H,23,24)/t16-/m0/s1
InChIKey	InChI	1.03	PPMCZEBJGJNUJF-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
PubChem	70686025
ChEMBL	CHEMBL2079292

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