U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H14F5N3O4S
Molecular Weight 451.368
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of A-988056

SMILES

OCC1=CN(C2=CC=C3OC(F)(F)C(F)(F)OC3=C2)\C(S1)=N\C(=O)N4CC[C@@H](F)C4

InChI

InChIKey=PSGWDGFLBBLION-BSCMDXFCSA-N
InChI=1S/C17H14F5N3O4S/c18-9-3-4-24(6-9)14(27)23-15-25(7-11(8-26)30-15)10-1-2-12-13(5-10)29-17(21,22)16(19,20)28-12/h1-2,5,7,9,26H,3-4,6,8H2/b23-15-/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H14F5N3O4S
Molecular Weight 451.368
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:57:40 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:40 GMT 2023
Record UNII
P4P3H8I844
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-988056
Common Name English
1-PYRROLIDINECARBOXAMIDE, 3-FLUORO-N-(5-(HYDROXYMETHYL)-3-(2,2,3,3-TETRAFLUORO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2(3H)-THIAZOLYLIDENE)-, (N(Z),3S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701022244
Created by admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
PRIMARY
FDA UNII
P4P3H8I844
Created by admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
PRIMARY
PUBCHEM
24852410
Created by admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
PRIMARY
CAS
1000859-51-7
Created by admin on Sat Dec 16 10:57:40 GMT 2023 , Edited by admin on Sat Dec 16 10:57:40 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY