SB-203220

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H26N2O4S
Molecular Weight	474.571
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC3=CC=C(C(O)=O)C4=C3C=CC=C4

InChI

InChIKey=FDCUUQDMGDDHFO-XMHGGMMESA-N

InChI=1S/C27H26N2O4S/c1-2-3-10-25-28-16-20(14-19(26(30)31)15-21-7-6-13-34-21)29(25)17-18-11-12-24(27(32)33)23-9-5-4-8-22(18)23/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,30,31)(H,32,33)/b19-14+

HIDE SMILES / InChI

Molecular Formula	C27H26N2O4S
Molecular Weight	474.571
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:34:50 GMT 2023` Edited by `admin` on `Fri Dec 15 15:34:50 GMT 2023`
Record UNII	A9T9WVAH03
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SB-203220

Code

English

2-THIOPHENEPROPANOIC ACID, .ALPHA.-((2-BUTYL-1-((4-CARBOXY-1-NAPHTHALENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (.ALPHA.E)-

Systematic Name

English

2-THIOPHENEPROPANOIC ACID, .ALPHA.-((2-BUTYL-1-((4-CARBOXY-1-NAPHTHALENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-, (E)-

Systematic Name

English

(.ALPHA.E)-.ALPHA.-((2-BUTYL-1-((4-CARBOXY-1-NAPHTHALENYL)METHYL)-1H-IMIDAZOL-5-YL)METHYLENE)-2-THIOPHENEPROPANOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

A9T9WVAH03

Created by admin on Fri Dec 15 15:34:50 GMT 2023 , Edited by admin on Fri Dec 15 15:34:50 GMT 2023

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CAS

144143-97-5

Created by admin on Fri Dec 15 15:34:50 GMT 2023 , Edited by admin on Fri Dec 15 15:34:50 GMT 2023

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PUBCHEM

9869504

Created by admin on Fri Dec 15 15:34:50 GMT 2023 , Edited by admin on Fri Dec 15 15:34:50 GMT 2023

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