(6R-trans)-3-(Hydroxymethyl)-8-Oxo-7-(2-Thienylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 5935-65-9]

Identification

• Name: (6R-trans)-3-(Hydroxymethyl)-8-Oxo-7-(2-Thienylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: 1-(4-Ethoxyphenyl)-5-[(5-Iodofuran-2-Yl)Methylidene]-2-Sulfanylidene-1,3-Diazinane-4,6-Dione; (5E)-1-(4-Ethoxyphenyl)-5-[(5-Iodo-2-Furyl)Methylene]-2-Thioxo-Hexahydropyrimidine-4,6-Dione; 1-(4-Ethoxyphenyl)-5-[(5-Iodo-2-Furyl)Methylene]-2-Thioxo-Hexahydropyrimidine-4,6-Dione
• Molecular Formula: C₁₇H₁₃IN₂O₄S
• Molecular Weight: 468.27
• CAS Registry Number: 5935-65-9
• EINECS: 227-690-8
• SMILES: C3=C(N1C(=O)\C(C(=O)NC1=S)=C\C2=CC=C(I)O2)C=CC(=C3)OCC
• InChI: 1S/C17H13IN2O4S/c1-2-23-11-5-3-10(4-6-11)20-16(22)13(15(21)19-17(20)25)9-12-7-8-14(18)24-12/h3-9H,2H2,1H3,(H,19,21,25)/b13-9+
• InChIKey: CXPWRYXRAKEOBW-UKTHLTGXSA-N

Properties

• Density: 1.803g/cm³ (Cal.)