Ethyl 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluorobenzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16F4N4O3S
Molecular Weight	492.446
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluorobenzoate

Structure Search

SMILES

CCOC(=O)C1=C(F)C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CN=C(C#N)C(=C4)C(F)(F)F

InChI

InChIKey=FEGFCONTOHEIDG-UHFFFAOYSA-N

InChI=1S/C22H16F4N4O3S/c1-2-33-18(31)14-5-4-12(9-16(14)23)30-20(34)29(19(32)21(30)6-3-7-21)13-8-15(22(24,25)26)17(10-27)28-11-13/h4-5,8-9,11H,2-3,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C22H16F4N4O3S
Molecular Weight	492.446
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:09:29 GMT 2025` Edited by `admin` on `Wed Apr 02 19:09:29 GMT 2025`
Record UNII	NQ2XQY8KE6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethyl 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluorobenzoate

Systematic Name

English

Benzoic acid, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-, ethyl ester

Preferred Name

English

Code System Code Type Description

FDA UNII

NQ2XQY8KE6

Created by admin on Wed Apr 02 19:09:29 GMT 2025 , Edited by admin on Wed Apr 02 19:09:29 GMT 2025

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PUBCHEM

86683489

Created by admin on Wed Apr 02 19:09:29 GMT 2025 , Edited by admin on Wed Apr 02 19:09:29 GMT 2025

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CAS

1332388-83-6

Created by admin on Wed Apr 02 19:09:29 GMT 2025 , Edited by admin on Wed Apr 02 19:09:29 GMT 2025

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