2-[[(2,6-Difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18F2N2O6S
Molecular Weight	476.45
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[(2,6-Difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylic acid

Structure Search

SMILES

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

InChI

InChIKey=IECXMDMMHFCBHW-UHFFFAOYSA-N

InChI=1S/C22H18F2N2O6S/c1-3-32-22(29)25(11-15-16(23)5-4-6-17(15)24)20-18(21(27)28)12(2)19(33-20)13-7-9-14(10-8-13)26(30)31/h4-10H,3,11H2,1-2H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C22H18F2N2O6S
Molecular Weight	476.45
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 20:18:10 GMT 2025` Edited by `admin` on `Wed Apr 02 20:18:10 GMT 2025`
Record UNII	JBD2MBV2PS
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)-

Preferred Name

English

2-[[(2,6-Difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

JBD2MBV2PS

Created by admin on Wed Apr 02 20:18:10 GMT 2025 , Edited by admin on Wed Apr 02 20:18:10 GMT 2025

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PUBCHEM

70204889

Created by admin on Wed Apr 02 20:18:10 GMT 2025 , Edited by admin on Wed Apr 02 20:18:10 GMT 2025

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CAS

2566172-33-4

Created by admin on Wed Apr 02 20:18:10 GMT 2025 , Edited by admin on Wed Apr 02 20:18:10 GMT 2025

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