Ethyl 2-[[(2,6-difluorophenyl)methyl][(1-methylethoxy)carbonyl]amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-3-thiophenecarboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29F2N3O6S
Molecular Weight	561.597
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2-[[(2,6-difluorophenyl)methyl][(1-methylethoxy)carbonyl]amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-3-thiophenecarboxylate

Structure Search

SMILES

CCOC(=O)C1=C(SC(=C1CN(C)C)C2=CC=C(C=C2)[N+]([O-])=O)N(CC3=C(F)C=CC=C3F)C(=O)OC(C)C

InChI

InChIKey=MTWYIVDCERXKLI-UHFFFAOYSA-N

InChI=1S/C27H29F2N3O6S/c1-6-37-26(33)23-20(14-30(4)5)24(17-10-12-18(13-11-17)32(35)36)39-25(23)31(27(34)38-16(2)3)15-19-21(28)8-7-9-22(19)29/h7-13,16H,6,14-15H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C27H29F2N3O6S
Molecular Weight	561.597
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 19:17:24 GMT 2025` Edited by `admin` on `Wed Apr 02 19:17:24 GMT 2025`
Record UNII	XQ9CRC95YN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl][(1-methylethoxy)carbonyl]amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-, ethyl ester

Preferred Name

English

Ethyl 2-[[(2,6-difluorophenyl)methyl][(1-methylethoxy)carbonyl]amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-3-thiophenecarboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

170782909

Created by admin on Wed Apr 02 19:17:24 GMT 2025 , Edited by admin on Wed Apr 02 19:17:24 GMT 2025

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CAS

2636079-27-9

Created by admin on Wed Apr 02 19:17:24 GMT 2025 , Edited by admin on Wed Apr 02 19:17:24 GMT 2025

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FDA UNII

XQ9CRC95YN

Created by admin on Wed Apr 02 19:17:24 GMT 2025 , Edited by admin on Wed Apr 02 19:17:24 GMT 2025

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