methyl (2R)-2-acetamido-3-(2-bromanyl-2-phenyl-ethyl)sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-(2-bromanyl-2-phenyl-ethyl)sulfanyl-propanoate Openeye Name: methyl (2R)-2-acetamido-3-(2-bromo-2-phenyl-ethyl)sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[(2-bromo-2-phenylethyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-(2-bromo-2-phenylethyl)sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[(2-bromo-2-phenyl-ethyl)thio]propionic acid methyl ester Formula: C14H18BrNO3S MolecularWeight: 360.26662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC(C1=CC=CC=C1)Br)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CSCC(C1=CC=CC=C1)Br)C(=O)OC

InChI

InChI=1S/C14H18BrNO3S/c1-10(17)16-13(14(18)19-2)9-20-8-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,16,17)/t12?,13-/m0/s1