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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-4'-YL-ACETAMIDO)PENICILLANIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CSN=C3)C(O)=O

InChI

InChIKey=RTGLHSDTYZMBEO-WCABBAIRSA-N
InChI=1S/C13H15N3O4S2/c1-13(2)9(12(19)20)16-10(18)8(11(16)22-13)15-7(17)3-6-4-14-21-5-6/h4-5,8-9,11H,3H2,1-2H3,(H,15,17)(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 Sat Dec 16 10:14:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:14:39 GMT 2023
Record UNII
N2Y4US429S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(ISOTHIAZOL-4'-YL-ACETAMIDO)PENICILLANIC ACID
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((4-ISOTHIAZOLYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
6-(4-ISOTHIAZOLYLACETAMIDEO)PENICILLANIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
117587585
Created by admin on Sat Dec 16 10:14:39 GMT 2023 , Edited by admin on Sat Dec 16 10:14:39 GMT 2023
PRIMARY
CAS
16172-11-5
Created by admin on Sat Dec 16 10:14:39 GMT 2023 , Edited by admin on Sat Dec 16 10:14:39 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
N2Y4US429S
Created by admin on Sat Dec 16 10:14:39 GMT 2023 , Edited by admin on Sat Dec 16 10:14:39 GMT 2023
PRIMARY
CAS
34783-51-2
Created by admin on Sat Dec 16 10:14:39 GMT 2023 , Edited by admin on Sat Dec 16 10:14:39 GMT 2023
PRIMARY
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