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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18N2O3S
Molecular Weight 342.412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-METHYLPHENYL)CARBAMIC ACID 3-(3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)PROPYL ESTER

SMILES

CC1=CC=C(NC(=O)OCCCN2SC3=C(C=CC=C3)C2=O)C=C1

InChI

InChIKey=JVCUDKPTQKYCMP-UHFFFAOYSA-N
InChI=1S/C18H18N2O3S/c1-13-7-9-14(10-8-13)19-18(22)23-12-4-11-20-17(21)15-5-2-3-6-16(15)24-20/h2-3,5-10H,4,11-12H2,1H3,(H,19,22)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(4-METHYLPHENYL)CARBAMIC ACID 3-(3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)PROPYL ESTER
Systematic Name English
CARBAMIC ACID, (4-METHYLPHENYL)-, 3-(3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)PROPYL ESTER
Preferred Name English
Code System Code Type Description
FDA UNII
EAW0NWQ8NO
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
PUBCHEM
10497498
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
CAS
199172-97-9
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID70941815
Created by admin on Wed Apr 02 09:24:07 GMT 2025 , Edited by admin on Wed Apr 02 09:24:07 GMT 2025
PRIMARY
NIH
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