2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS Registry Number®

56211-43-9
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CAS Name

2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Molecular Formula

C23H33N3O6S

Molecular Mass

479.59

Cite this Page

2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-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=56211-43-9 (retrieved 2024-08-17) (CAS RN: 56211-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H33N3O6S/c1-7-25(8-2)12-13-32-22(29)18-23(3,4)33-21-17(20(28)26(18)21)24-19(27)16-14(30-5)10-9-11-15(16)31-6/h9-11,17-18,21H,7-8,12-13H2,1-6H3,(H,24,27)/t17-,18+,21-/m1/s1

InChIKey

InChIKey=HBOSVRMWGCNXAB-LVCYWYKZSA-N

SMILES

C(OCCN(CC)CC)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C3=C(OC)C=CC=C3OC)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(OCCN(CC)CC)C1N2C(=O)C(NC(=O)C=3C(OC)=CC=CC3OC)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-, 2-(diethylamino)ethyl ester, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-, 2-(diethylamino)ethyl ester, [2S-(2α,5α,6β)]-
  • 2-(Diethylamino)ethyl (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Methicillin 2-(diethylamino)ethyl ester
  • DAN 523

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