3-Chloro-3',3'-Dimethyl-7'-Oxo-3-((Phenylamino)Carbonyl)Spiro(Oxirane-2,6'-(4)Thia(1)Azabicyclo(3.2.)Heptane)-2'-Carboxylic Acid
[CAS# 115937-29-6]

Identification

• Name: 3-Chloro-3',3'-Dimethyl-7'-Oxo-3-((Phenylamino)Carbonyl)Spiro(Oxirane-2,6'-(4)Thia(1)Azabicyclo(3.2.)Heptane)-2'-Carboxylic Acid
• Synonyms: (2S,3'R,5R)-3'-Chloro-3,3-Dimethyl-7-Oxo-3'-[Oxo-(Phenylamino)Methyl]-2-Spiro[4-Thia-1-Azabicyclo[3.2.0]Heptane-6,2'-Oxirane]Carboxylic Acid; (2S,3'R,5R)-3'-Chloro-7-Keto-3,3-Dimethyl-3'-(Phenylcarbamoyl)Spiro[4-Thia-1-Azabicyclo[3.2.0]Heptane-6,2'-Oxirane]-2-Carboxylic Acid; 3-Chloro-3',3'-Dimethyl-7'-Oxo-3-((Phenylamino)Carbonyl)Spiro(Oxirane-2,6'-(4)Thia(1)Azabicyclo(3.2.0)Heptane)-2'-Carboxylic Acid
• Molecular Formula: C₁₆H₁₅ClN₂O₅S
• Molecular Weight: 382.82
• CAS Registry Number: 115937-29-6
• SMILES: [C@]1(OC13[C@@H]2N([C@H](C(S2)(C)C)C(=O)O)C3=O)(C(=O)NC4=CC=CC=C4)Cl
• InChI: 1S/C16H15ClN2O5S/c1-14(2)9(10(20)21)19-12(23)15(13(19)25-14)16(17,24-15)11(22)18-8-6-4-3-5-7-8/h3-7,9,13H,1-2H3,(H,18,22)(H,20,21)/t9-,13+,15?,16+/m0/s1
• InChIKey: UEMZAMIDKCYVJS-RAGRCPQZSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Boiling point: 716.961°C at 760 mmHg (Cal.)
• Flash point: 387.404°C (Cal.)