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Reference substance information

IUPAC name:
(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonyms
Names:
[2S-(2A,3B,5A)]-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
Identifier:
CAS number
89786-04-9
Identifier:
IUPAC name
(2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
Identifier:
IUPAC name
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S-(2alpha,3beta,5alpha))-
(2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide

CAS information

CAS number:
89786-04-9

Molecular and structural information

Molecular formula:
C10H12N4O5S
Molecular weight:
300.29
SMILES notation:
S1([C@@]([C@@H](N2C(=O)C[C@@H]12)C(O)=O)(Cn1ccnn1)C)(=O)=O
Structural formula:
Chemical structure