[(2S)-1-{[(1R)-1-(6-Fluoro-1,3-Benzothiazol-2-Yl)Ethyl]Amino}-3-Methyl-1-Oxo-2-Butanyl]Carbamic Acid
[CAS# 413615-35-7]

Identification

• Name: [(2S)-1-{[(1R)-1-(6-Fluoro-1,3-Benzothiazol-2-Yl)Ethyl]Amino}-3-Methyl-1-Oxo-2-Butanyl]Carbamic Acid
• Synonyms: benthiavalicarb; Carbamic acid, N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-
• Molecular Formula: C₁₅H₁₈FN₃O₃S
• Molecular Weight: 339.39
• CAS Registry Number: 413615-35-7
• SMILES: CC(C)[C@H](NC(O)=O)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
• InChI: 1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1
• InChIKey: VVSLYIKSEBPRSN-PELKAZGASA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Refractive index: 1.599 (Cal.)