[(1R,2S,3R)-2-bromanyl-3-methyl-1-phenyl-4-phenylsulfanyl-butyl] ethanoate

Systemtic Name: [(1R,2S,3R)-2-bromanyl-3-methyl-1-phenyl-4-phenylsulfanyl-butyl] ethanoate Openeye Name: [(1R,2S,3R)-2-bromo-3-methyl-1-phenyl-4-phenylsulfanyl-butyl] acetate CAS Name: acetic acid [(1R,2S,3R)-2-bromo-3-methyl-1-phenyl-4-(phenylthio)butyl] ester IUPAC Name: [(1R,2S,3R)-2-bromo-3-methyl-1-phenyl-4-phenylsulfanylbutyl] acetate Traditional Name: acetic acid [(1R,2S,3R)-2-bromo-3-methyl-1-phenyl-4-(phenylthio)butyl] ester Formula: C19H21BrO2S MolecularWeight: 393.33784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)C(C(C2=CC=CC=C2)OC(=O)C)Br

Isomeric SMILES

C[C@H](CSC1=CC=CC=C1)[C@@H]([C@@H](C2=CC=CC=C2)OC(=O)C)Br

InChI

InChI=1S/C19H21BrO2S/c1-14(13-23-17-11-7-4-8-12-17)18(20)19(22-15(2)21)16-9-5-3-6-10-16/h3-12,14,18-19H,13H2,1-2H3/t14-,18+,19-/m1/s1