4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, (2S,3S,5R)-

CAS Registry Number®

89789-07-1
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CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, (2S,3S,5R)-

Molecular Formula

C23H22N4O5S

Molecular Mass

466.51

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, (2S,3S,5R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89789-07-1 (retrieved 2024-07-01) (CAS RN: 89789-07-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    20.7-208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H22N4O5S/c1-23(15-26-13-12-24-25-26)21(27-18(28)14-19(27)33(23,30)31)22(29)32-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19-21H,14-15H2,1H3/t19-,21+,23+/m1/s1

InChIKey

InChIKey=PHGXFQIAGFMIHJ-NWSQWKLXSA-N

SMILES

C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@](S(=O)(=O)[C@]3(CN5C=CN=N5)C)(CC4=O)[H]

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3N4C(=O)CC4S(=O)(=O)C3(C)CN5N=NC=C5

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, (2S,3S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, [2S-(2α,3β,5α)]-
  • 1H-1,2,3-Triazole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.
  • Tazobactam diphenylmethyl ester