Ethyl2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H22F2N2O6S
Molecular Weight	504.503
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate

Structure Search

SMILES

CCOC(=O)N(CC1=C(F)C=CC=C1F)C2=C(C(=O)OCC)C(C)=C(S2)C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=VEQKKZQAOCWPKO-UHFFFAOYSA-N

InChI=1S/C24H22F2N2O6S/c1-4-33-23(29)20-14(3)21(15-9-11-16(12-10-15)28(31)32)35-22(20)27(24(30)34-5-2)13-17-18(25)7-6-8-19(17)26/h6-12H,4-5,13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C24H22F2N2O6S
Molecular Weight	504.503
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 19:34:26 GMT 2025` Edited by `admin` on `Wed Apr 02 19:34:26 GMT 2025`
Record UNII	XWS343S63W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-, ethyl ester

Preferred Name

English

Ethyl2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate

Systematic Name

English

Ethyl 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301108854

Created by admin on Wed Apr 02 19:34:26 GMT 2025 , Edited by admin on Wed Apr 02 19:34:26 GMT 2025

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FDA UNII

XWS343S63W

Created by admin on Wed Apr 02 19:34:26 GMT 2025 , Edited by admin on Wed Apr 02 19:34:26 GMT 2025

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CAS

308831-94-9

Created by admin on Wed Apr 02 19:34:26 GMT 2025 , Edited by admin on Wed Apr 02 19:34:26 GMT 2025

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PUBCHEM

18324799

Created by admin on Wed Apr 02 19:34:26 GMT 2025 , Edited by admin on Wed Apr 02 19:34:26 GMT 2025

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