Ethyl 4-(bromomethyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-3-thiophenecarboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31BrF2N2O6S
Molecular Weight	653.532
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 4-(bromomethyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-3-thiophenecarboxylate

Structure Search

SMILES

CCOC(=O)N(CC1=C(F)C=CC=C1F)C2=C(C(=O)OCC)C(CBr)=C(S2)C3=CC=C(NC(=O)OC(C)(C)C)C=C3

InChI

InChIKey=CSGKRKOTKAENKR-UHFFFAOYSA-N

InChI=1S/C29H31BrF2N2O6S/c1-6-38-26(35)23-19(15-30)24(17-11-13-18(14-12-17)33-27(36)40-29(3,4)5)41-25(23)34(28(37)39-7-2)16-20-21(31)9-8-10-22(20)32/h8-14H,6-7,15-16H2,1-5H3,(H,33,36)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-Thiophenecarboxylic acid, 4-(bromomethyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-, ethyl ester

Preferred Name

English

Ethyl 4-(bromomethyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-3-thiophenecarboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

QNB6UVK8S3

Created by admin on Wed Apr 02 21:25:24 GMT 2025 , Edited by admin on Wed Apr 02 21:25:24 GMT 2025

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CAS

2754392-24-8

Created by admin on Wed Apr 02 21:25:24 GMT 2025 , Edited by admin on Wed Apr 02 21:25:24 GMT 2025

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PUBCHEM

162513298

Created by admin on Wed Apr 02 21:25:24 GMT 2025 , Edited by admin on Wed Apr 02 21:25:24 GMT 2025

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SUBSTANCE RECORD


					QNB6UVK8S3

Ethyl 4-(bromomethyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-5-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-3-thiophenecarboxylate