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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16ClNO2S.ClH
Molecular Weight 358.283
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (αS)-α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate hydrochloride

SMILES

Cl.COC(=O)[C@@H](N1CCC2=C(C1)SC=C2)C3=C(Cl)C=CC=C3

InChI

InChIKey=SYAKRIYLSOOCKW-RSAXXLAASA-N
InChI=1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;/h2-5,7,9,15H,6,8,10H2,1H3;1H/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C16H16ClNO2S
Molecular Weight 321.822
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity ( + )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:05 UTC 2023
Edited
by admin
on Sat Dec 16 19:49:05 UTC 2023
Record UNII
K92EA7JH9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (αS)-α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate hydrochloride
Systematic Name English
Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester, hydrochloride (1:1), (αS)-
Systematic Name English
Code System Code Type Description
CAS
1396607-35-4
Created by admin on Sat Dec 16 19:49:05 UTC 2023 , Edited by admin on Sat Dec 16 19:49:05 UTC 2023
PRIMARY
PUBCHEM
134715252
Created by admin on Sat Dec 16 19:49:05 UTC 2023 , Edited by admin on Sat Dec 16 19:49:05 UTC 2023
PRIMARY
FDA UNII
K92EA7JH9Z
Created by admin on Sat Dec 16 19:49:05 UTC 2023 , Edited by admin on Sat Dec 16 19:49:05 UTC 2023
PRIMARY
Related Record Type Details
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