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
C23H22N4O3SMolecular Mass
434.51Cite 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 ) (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.