(4-bromanyl-2-fluoranyl-phenyl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid (4-bromo-2-fluoro-benzyl) ester Formula: C13H16BrFN2O3S MolecularWeight: 379.245143

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=C(C=C(C=C1)Br)F)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=C(C=C(C=C1)Br)F)NC(=O)N

InChI

InChI=1S/C13H16BrFN2O3S/c1-21-5-4-11(17-13(16)19)12(18)20-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H3,16,17,19)/t11-/m1/s1