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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15NOS2
Molecular Weight 313.437
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CE-123, (S)-

SMILES

[O-][S@@+](CC1=CN=CS1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=VBBBWHDWYLUSEL-NRFANRHFSA-N
InChI=1S/C17H15NOS2/c19-21(12-16-11-18-13-20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H15NOS2
Molecular Weight 313.437
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 18:08:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:19 GMT 2023
Record UNII
ZT38HVD6PN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CE-123, (S)-
Code English
THIAZOLE, 5-(((S)-(DIPHENYLMETHYL)SULFINYL)METHYL)-
Systematic Name English
CE-123. S-ISOMER
Common Name English
(S)-CE-123
Code English
Code System Code Type Description
FDA UNII
ZT38HVD6PN
Created by admin on Sat Dec 16 18:08:19 GMT 2023 , Edited by admin on Sat Dec 16 18:08:19 GMT 2023
PRIMARY
PUBCHEM
139577498
Created by admin on Sat Dec 16 18:08:19 GMT 2023 , Edited by admin on Sat Dec 16 18:08:19 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Value for racemate, active enantiomer
IC50
Related Record Type Details
ACTIVE MOIETY