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Details

Stereochemistry UNKNOWN
Molecular Formula C22H23N3O4S
Molecular Weight 425.501
Optical Activity ( - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMD-53998, (-)-

SMILES

COC1=CC=C(C=C1OC)C(=O)N2CCCC3=C2C=CC(=C3)C4=NNC(=O)SC4C

InChI

InChIKey=IZLRMTJLQCLMKF-UHFFFAOYSA-N
InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)

HIDE SMILES / InChI

Molecular Formula C22H23N3O4S
Molecular Weight 425.501
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:48:29 GMT 2023
Edited
by admin
on Sat Dec 16 01:48:29 GMT 2023
Record UNII
3U8DR83SGS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMD-53998, (-)-
Code English
EMD-57439
Code English
QUINOLINE, 6-(3,6-DIHYDRO-6-METHYL-2-OXO-2H-1,3,4-THIADIAZIN-5-YL)-1-(3,4-DIMETHOXYBENZOYL)-1,2,3,4-TETRAHYDRO-, (-)-
Systematic Name English
(-)-6-(3,6-DIHYDRO-6-METHYL-2-OXO-2H-1,3,4-THIADIAZIN-5-YL)-1-(3,4-DIMETHOXYBENZOYL)-1,2,3,4-TETRAHYDROQUINOLINE
Common Name English
EMD-57439, (-)-
Code English
EMD-57033, (-)-
Code English
Code System Code Type Description
CAS
148714-88-9
Created by admin on Sat Dec 16 01:48:29 GMT 2023 , Edited by admin on Sat Dec 16 01:48:29 GMT 2023
PRIMARY
FDA UNII
3U8DR83SGS
Created by admin on Sat Dec 16 01:48:29 GMT 2023 , Edited by admin on Sat Dec 16 01:48:29 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER