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

CAS Registry Number®

81589-25-5
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CAS Name

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

Molecular Formula

C18H18N6O5S2

Molecular Mass

462.50

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, [6R-(6α,7β)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81589-25-5 (retrieved 2024-05-18) (CAS RN: 81589-25-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)30-8-11-9-31(29)16-13(15(26)24(16)14(11)17(27)28)19-12(25)7-10-5-3-2-4-6-10/h2-6,13,16H,7-9H2,1H3,(H,19,25)(H,27,28)/t13-,16-,31?/m1/s1

InChIKey

InChIKey=KHJBTVJTQCCIFA-XYHXAFPNSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(S(=O)CC1CSC=4N(C)N=NN4)[H]

Canonical SMILES

O=C(O)C1=C(CSC2=NN=NN2C)CS(=O)C3N1C(=O)C3NC(=O)CC=4C=CC=CC4

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-[(phenylacetyl)amino]-, 5-oxide, [6R-(6α,7β)]-

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