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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13ClN2O3S
Molecular Weight 348.804
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

ClC1=CC(NC(=O)OCCN2SC3=CC=CC=C3C2=O)=CC=C1

InChI

InChIKey=GWPCGFMQTAWQMZ-UHFFFAOYSA-N
InChI=1S/C16H13ClN2O3S/c17-11-4-3-5-12(10-11)18-16(21)22-9-8-19-15(20)13-6-1-2-7-14(13)23-19/h1-7,10H,8-9H2,(H,18,21)

HIDE SMILES / InChI

Molecular Formula C16H13ClN2O3S
Molecular Weight 348.804
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 10:32:55 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:55 GMT 2023
Record UNII
LJF82SW2FY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-CHLOROPHENYL)CARBAMIC ACID 2-(3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)ETHYL ESTER
Systematic Name English
Carbamic acid, (3-chlorophenyl)-, 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester
Systematic Name English
2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-(3-chlorophenyl)carbamate
Systematic Name English
Code System Code Type Description
CAS
199172-80-0
Created by admin on Sat Dec 16 10:32:55 GMT 2023 , Edited by admin on Sat Dec 16 10:32:55 GMT 2023
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EPA CompTox
DTXSID70941799
Created by admin on Sat Dec 16 10:32:55 GMT 2023 , Edited by admin on Sat Dec 16 10:32:55 GMT 2023
PRIMARY
PUBCHEM
10066375
Created by admin on Sat Dec 16 10:32:55 GMT 2023 , Edited by admin on Sat Dec 16 10:32:55 GMT 2023
PRIMARY
FDA UNII
LJF82SW2FY
Created by admin on Sat Dec 16 10:32:55 GMT 2023 , Edited by admin on Sat Dec 16 10:32:55 GMT 2023
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