Methyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS Registry Number®

4027-61-6

CAS Name

Methyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Molecular Formula

C9H13NO3S

Molecular Mass

215.27

Cite this Page

Methyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4027-61-6 (retrieved 2024-11-22) (CAS RN: 4027-61-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    52-53 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H13NO3S/c1-9(2)7(8(12)13-3)10-5(11)4-6(10)14-9/h6-7H,4H2,1-3H3/t6-,7+/m1/s1

InChIKey

InChIKey=DJANLSNABDFZLA-RQJHMYQMSA-N

SMILES

C(OC)(=O)[C@@H]1N2[C@](SC1(C)C)(CC2=O)[H]

Canonical SMILES

O=C(OC)C1N2C(=O)CC2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, methyl ester, (2S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, methyl ester
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, methyl ester, (2S-cis)-
  • Methyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Methyl penicillanate

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