R-125687

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H20FNO3S
Molecular Weight	349.42
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C1\CN(CC[C@@H]1S)[C@H](C(=O)C2CC2)C3=C(F)C=CC=C3

InChI

InChIKey=ZWUQVNSJSJHFPS-UKGUVBINSA-N

InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-/t15-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H20FNO3S
Molecular Weight	349.42
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:14 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:14 GMT 2025`
Record UNII	CBH764R26K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

R-125687

Common Name

English

R-138727, (4S,1S)-

Preferred Name

English

ACETIC ACID, 2-((4S)-1-((1S)-2-CYCLOPROPYL-1-(2-FLUOROPHENYL)-2-OXOETHYL)-4-MERCAPTO-3-PIPERIDINYLIDENE)-, (2Z)-

Systematic Name

English

Code System Code Type Description

CAS

866761-68-4

Created by admin on Mon Mar 31 22:53:14 GMT 2025 , Edited by admin on Mon Mar 31 22:53:14 GMT 2025

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FDA UNII

CBH764R26K

Created by admin on Mon Mar 31 22:53:14 GMT 2025 , Edited by admin on Mon Mar 31 22:53:14 GMT 2025

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PUBCHEM

72710744

Created by admin on Mon Mar 31 22:53:14 GMT 2025 , Edited by admin on Mon Mar 31 22:53:14 GMT 2025

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