(+)-2-Chloro-alpha-[[2-(2-Thienyl)Ethyl]Amino]-Benzeneacetic Acid Methyl Ester (1S)-7,7-Dimethyl-2-Oxobicyclo[2.2.1]Heptane-1-Methanesulfonate
[CAS# 141109-21-9]

Identification

• Name: (+)-2-Chloro-alpha-[[2-(2-Thienyl)Ethyl]Amino]-Benzeneacetic Acid Methyl Ester (1S)-7,7-Dimethyl-2-Oxobicyclo[2.2.1]Heptane-1-Methanesulfonate
• Synonyms: Benzeneacetic acid, 2-chloro-a-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (+)-, (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
• Molecular Formula: C₂₅H₃₂ClNO₆S₂
• Molecular Weight: 542.11
• CAS Registry Number: 141109-21-9
• SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.COC(=O)C(c1ccccc1Cl)NCCc2cccs2
• InChI: 1S/C15H16ClNO2S.C10H16O4S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-7,10,14,17H,8-9H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t14-;7-,10-/m01/s1
• InChIKey: JOIKQWIAYDLRQN-QFMNQFBTSA-N

Properties

• Boiling point: 675.5°C at 760 mmHg (Cal.)
• Flash point: 362.3°C (Cal.)
• Refractive index: (Cal.)