5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, (6R,7R)-

CAS Registry Number®

49586-46-1
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CAS Name

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, (6R,7R)-

Molecular Formula

C16H16N2O5S

Molecular Mass

348.37

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, (6R,7R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49586-46-1 (retrieved 2024-05-18) (CAS RN: 49586-46-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H16N2O5S/c1-9-8-24(23)15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/t12-,15-,24?/m1/s1

InChIKey

InChIKey=PHIMLNXVWFHTLQ-LCCRGGACSA-N

SMILES

N(C(CC1=CC=CC=C1)=O)[C@H]2[C@@]3(N(C(C(O)=O)=C(C)CS3=O)C2=O)[H]

Canonical SMILES

O=C(O)C1=C(C)CS(=O)C2N1C(=O)C2NC(=O)CC=3C=CC=CC3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, [6R-(6α,7β)]-
  • 3-Methyl-7-phenylacetamido-3-cephem-4-carboxylic acid 1-oxide
  • Deacetoxycephalosporin G sulfoxide

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