(Propionyloxy)Methyl 7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Pentenoyl]Amino}-3-[(Carbamoyloxy)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 147816-23-7]

Identification

• Name: (Propionyloxy)Methyl 7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Pentenoyl]Amino}-3-[(Carbamoyloxy)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: (Propionyloxy)methyl 7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (Propionyloxy)methyl-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-penten-1-yl]amino]-8-oxo-, (1-oxopropoxy)methyl ester
• Molecular Formula: C₂₁H₂₅N₅O₈S₂
• Molecular Weight: 539.58
• CAS Registry Number: 147816-23-7
• SMILES: CC/C=C(/c1csc(n1)N)\C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)CC
• InChI: 1S/C21H25N5O8S2/c1-3-5-11(12-8-36-20(22)24-12)16(28)25-14-17(29)26-15(19(30)34-9-33-13(27)4-2)10(6-32-21(23)31)7-35-18(14)26/h5,8,14,18H,3-4,6-7,9H2,1-2H3,(H2,22,24)(H2,23,31)(H,25,28)/b11-5-
• InChIKey: AFGDEOQUJFCEPL-WZUFQYTHSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 901.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 498.8±34.3°C (Cal.)
• Refractive index: 1.654 (Cal.)