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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO5S
Molecular Weight 401.476
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide

SMILES

COC1=C(OC)C(OC)=C2C(CC[C@H](NC=O)C3=CC(=O)C(SC)=CC=C23)=C1

InChI

InChIKey=QWMGUEXZTDFFTR-HNNXBMFYSA-N
InChI=1S/C21H23NO5S/c1-25-17-9-12-5-7-15(22-11-23)14-10-16(24)18(28-4)8-6-13(14)19(12)21(27-3)20(17)26-2/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-373031
Preferred Name English
N-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide
Systematic Name English
Formamide, N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
Systematic Name English
Code System Code Type Description
FDA UNII
D4JNN36GUT
Created by admin on Wed Apr 02 19:22:39 GMT 2025 , Edited by admin on Wed Apr 02 19:22:39 GMT 2025
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NSC
373031
Created by admin on Wed Apr 02 19:22:39 GMT 2025 , Edited by admin on Wed Apr 02 19:22:39 GMT 2025
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EPA CompTox
DTXSID601116472
Created by admin on Wed Apr 02 19:22:39 GMT 2025 , Edited by admin on Wed Apr 02 19:22:39 GMT 2025
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CAS
2731-23-9
Created by admin on Wed Apr 02 19:22:39 GMT 2025 , Edited by admin on Wed Apr 02 19:22:39 GMT 2025
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PUBCHEM
17650
Created by admin on Wed Apr 02 19:22:39 GMT 2025 , Edited by admin on Wed Apr 02 19:22:39 GMT 2025
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