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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15N3O4S2
Molecular Weight 341.406
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(ISOTHIAZOL-3'-YL-ACETAMIDO)PENICILLANIC ACID

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)CC3=NSC=C3)C(=O)N2[C@H]1C(O)=O

InChI

InChIKey=HXRDERNKLZSERB-WCABBAIRSA-N
InChI=1S/C13H15N3O4S2/c1-13(2)9(12(19)20)16-10(18)8(11(16)22-13)14-7(17)5-6-3-4-21-15-6/h3-4,8-9,11H,5H2,1-2H3,(H,14,17)(H,19,20)/t8-,9+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H15N3O4S2
Molecular Weight 341.406
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:07:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:07:55 GMT 2025
Record UNII
849O179910
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(ISOTHIAZOL-3'-YL-ACETAMIDO)PENICILLANIC ACID
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((3-ISOTHIAZOLYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Preferred Name English
6-(3-ISOTHIAZOLYLACETAMIDO)PENICILLANIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
849O179910
Created by admin on Mon Mar 31 23:07:55 GMT 2025 , Edited by admin on Mon Mar 31 23:07:55 GMT 2025
PRIMARY
CAS
16172-10-4
Created by admin on Mon Mar 31 23:07:55 GMT 2025 , Edited by admin on Mon Mar 31 23:07:55 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
117587599
Created by admin on Mon Mar 31 23:07:55 GMT 2025 , Edited by admin on Mon Mar 31 23:07:55 GMT 2025
PRIMARY
CAS
34783-50-1
Created by admin on Mon Mar 31 23:07:55 GMT 2025 , Edited by admin on Mon Mar 31 23:07:55 GMT 2025
PRIMARY
Related Record Type Details
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