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, (2S,3S,5R)-

CAS Registry Number®

125949-72-6
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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, (2S,3S,5R)-

Molecular Formula

C23H22N4O3S

Molecular Mass

434.51

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, (2S,3S,5R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125949-72-6 (retrieved 2024-08-26) (CAS RN: 125949-72-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22N4O3S/c1-23(15-26-13-12-24-25-26)21(27-18(28)14-19(27)31-23)22(29)30-20(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=JQBMYOWGXZWEBC-NWSQWKLXSA-N

SMILES

C([C@@]1(C)[C@H](C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)N4[C@](S1)(CC4=O)[H])N5C=CN=N5

Canonical SMILES

O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3N4C(=O)CC4SC3(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, (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, [2S-(2α,3β,5α)]-
  • 1H-1,2,3-Triazole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv.