1-[[(1-Methylethoxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2Z)-2-[2-(formylamino)-4-thiazolyl]-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS Registry Number®

96680-30-7
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CAS Name

1-[[(1-Methylethoxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2Z)-2-[2-(formylamino)-4-thiazolyl]-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Molecular Formula

C22H27N5O10S2

Molecular Mass

585.61

Cite this Page

1-[[(1-Methylethoxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2Z)-2-[2-(formylamino)-4-thiazolyl]-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96680-30-7 (retrieved 2024-07-05) (CAS RN: 96680-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27N5O10S2/c1-10(2)35-22(32)37-11(3)36-20(31)16-12(6-33-4)7-38-19-15(18(30)27(16)19)25-17(29)14(26-34-5)13-8-39-21(24-13)23-9-28/h8-11,15,19H,6-7H2,1-5H3,(H,25,29)(H,23,24,28)/b26-14-/t11?,15-,19-/m1/s1

InChIKey

InChIKey=KBBPBOYVHDSXFI-KMMUMHRISA-N

SMILES

C(OC(OC(OC(C)C)=O)C)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C=3N=C(NC=O)SC3)=O)C2=O)(SCC1COC)[H]

Canonical SMILES

O=CNC1=NC(=CS1)C(=NOC)C(=O)NC2C(=O)N3C(C(=O)OC(OC(=O)OC(C)C)C)=C(COC)CSC32

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-[2-(formylamino)-4-thiazolyl]-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[2-(formylamino)-4-thiazolyl](methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, [6R-[6α,7β(Z)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-[2-(formylamino)-4-thiazolyl](methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester, (6R,7R)-
  • 1-[[(1-Methylethoxy)carbonyl]oxy]ethyl (6R,7R)-7-[[(2Z)-2-[2-(formylamino)-4-thiazolyl]-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate