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
C18H18N6O5S2Molecular Mass
462.50Cite 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 ) (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)]-