5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-, compd. with 1-butanamine (1:1)
CAS Registry Number®
403736-96-9
CAS Name
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-, compd. with 1-butanamine (1:1)Molecular Formula
C16H16N4O8S.C4H11NCite this Page
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-, compd. with 1-butanamine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=403736-96-9 (retrieved ) (CAS RN: 403736-96-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H16N4O8S.C4H11N/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;1-2-3-4-5/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);2-5H2,1H3/b19-9-;/t10-,14-;/m1./s1
InChIKey
InChIKey=CWFUGGFLZKOYLE-JTBFTWTJSA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CC=CO3)=O)C2=O)(SCC1COC(N)=O)[H].C(CC)CN
Canonical SMILES
O=C(OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)C=3OC=CC3)C2SC1)N.NCCCC
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-, compd. with 1-butanamine (1:1)
