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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O2S
Molecular Weight 196.266
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEPROPANOIC ACID, .ALPHA.-(METHYLTHIO)-, (.ALPHA.S)-

SMILES

CS[C@@H](CC1=CC=CC=C1)C(O)=O

InChI

InChIKey=CYAZQTVQDWFWTK-VIFPVBQESA-N
InChI=1S/C10H12O2S/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O2S
Molecular Weight 196.266
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:36 GMT 2023
Edited
by admin
on Sat Dec 16 16:11:36 GMT 2023
Record UNII
3I4BDY5A3T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEPROPANOIC ACID, .ALPHA.-(METHYLTHIO)-, (.ALPHA.S)-
Systematic Name English
(.ALPHA.S)-.ALPHA.-(METHYLTHIO)BENZENEPROPANOIC ACID
Systematic Name English
OMAPATRILAT METABOLITE M1-C
Common Name English
GEMOPATRILAT METABOLITE M11
Common Name English
BMS 225308
Common Name English
Code System Code Type Description
CAS
330589-09-8
Created by admin on Sat Dec 16 16:11:37 GMT 2023 , Edited by admin on Sat Dec 16 16:11:37 GMT 2023
PRIMARY
PUBCHEM
6426746
Created by admin on Sat Dec 16 16:11:37 GMT 2023 , Edited by admin on Sat Dec 16 16:11:37 GMT 2023
PRIMARY
FDA UNII
3I4BDY5A3T
Created by admin on Sat Dec 16 16:11:37 GMT 2023 , Edited by admin on Sat Dec 16 16:11:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
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MINOR
PLASMA