5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 5-oxide, (2R,5S,6R,7R)-

CAS Registry Number®

60771-27-9

CAS Name

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 5-oxide, (2R,5S,6R,7R)-

Molecular Formula

C23H21N3O8S

Molecular Mass

499.49

Cite this Page

5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 5-oxide, (2R,5S,6R,7R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60771-27-9 (retrieved 2024-11-25) (CAS RN: 60771-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H21N3O8S/c1-14-13-35(32)22-19(24-18(27)12-33-17-5-3-2-4-6-17)21(28)25(22)20(14)23(29)34-11-15-7-9-16(10-8-15)26(30)31/h2-10,19-20,22H,1,11-13H2,(H,24,27)/t19-,20-,22-,35+/m1/s1

InChIKey

InChIKey=HBKWKOGDTHDLLR-UMUVJPRFSA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)[C@@H]2N3[C@@]([C@H](NC(COC4=CC=CC=C4)=O)C3=O)(S(=O)CC2=C)[H]

Canonical SMILES

O=C(OCC1=CC=C(C=C1)N(=O)=O)C2C(=C)CS(=O)C3N2C(=O)C3NC(=O)COC=4C=CC=CC4

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 5-oxide, (2R,5S,6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-, (4-nitrophenyl)methyl ester, 5-oxide, [2R-(2α,5β,6α,7β)]-

CAS INSIGHTSTM
Hourglass and a clock