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Details

Stereochemistry MIXED
Molecular Formula C17H21NO5S
Molecular Weight 351.4191
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ACETAMIDO-3-(1-BUTYL-3-OXO-ISOBENZOFURAN-1-YL)SULFANYL-PROPANOIC ACID

SMILES

CCCCC1(c2ccccc2C(=O)O1)SCC(C(=O)O)N=C(C)O

InChI

InChIKey=QEXAPRBPMOEAJY-UHFFFAOYSA-N
InChI=1S/C17H21NO5S/c1-3-4-9-17(24-10-14(15(20)21)18-11(2)19)13-8-6-5-7-12(13)16(22)23-17/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,19)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C17H21NO5S
Molecular Weight 351.4191
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:07:50 UTC 2021
Edited
by admin
on Sat Jun 26 05:07:50 UTC 2021
Record UNII
FCL799QR7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ACETAMIDO-3-(1-BUTYL-3-OXO-ISOBENZOFURAN-1-YL)SULFANYL-PROPANOIC ACID
Systematic Name English
BUTYLPHTHALIDE METABOLITE M8
Common Name English
Code System Code Type Description
PUBCHEM
155491320
Created by admin on Sat Jun 26 05:07:50 UTC 2021 , Edited by admin on Sat Jun 26 05:07:50 UTC 2021
PRIMARY PUBCHEM
FDA UNII
FCL799QR7P
Created by admin on Sat Jun 26 05:07:50 UTC 2021 , Edited by admin on Sat Jun 26 05:07:50 UTC 2021
PRIMARY
Related Record Type Details
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