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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18ClNO3S
Molecular Weight 351.848
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(2-chlorophenyl)-2-(2-(hydroxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate, (S)-

SMILES

COC(=O)[C@@H](N1CCC2=C(C1)C=C(CO)S2)C3=CC=CC=C3Cl

InChI

InChIKey=YYQHSWQHFKBARX-INIZCTEOSA-N
InChI=1S/C17H18ClNO3S/c1-22-17(21)16(13-4-2-3-5-14(13)18)19-7-6-15-11(9-19)8-12(10-20)23-15/h2-5,8,16,20H,6-7,9-10H2,1H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18ClNO3S
Molecular Weight 351.848
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 Wed Apr 02 17:19:22 GMT 2025
Edited
by admin
on Wed Apr 02 17:19:22 GMT 2025
Record UNII
ENB9ED6FTQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2-(2-chlorophenyl)-2-(2-(hydroxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate, (S)-
Systematic Name English
(S)-Methyl 2-(2-chlorophenyl)-2-(2-(hydroxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate
Preferred Name English
Thieno[3,2-c]pyridine-5(4H)-acetic acid, ?-(2-chlorophenyl)-6,7-dihydro-2-(hydroxymethyl)-, methyl ester, (?S)-
Systematic Name English
Methyl (?S)-?-(2-chlorophenyl)-6,7-dihydro-2-(hydroxymethyl)thieno[3,2-c]pyridine-5(4H)-acetate
Systematic Name English
Code System Code Type Description
FDA UNII
ENB9ED6FTQ
Created by admin on Wed Apr 02 17:19:22 GMT 2025 , Edited by admin on Wed Apr 02 17:19:22 GMT 2025
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CAS
1346231-35-3
Created by admin on Wed Apr 02 17:19:22 GMT 2025 , Edited by admin on Wed Apr 02 17:19:22 GMT 2025
PRIMARY
PUBCHEM
163202820
Created by admin on Wed Apr 02 17:19:22 GMT 2025 , Edited by admin on Wed Apr 02 17:19:22 GMT 2025
PRIMARY