(2S)-2-(4-bromophenyl)sulfanyl-3-methyl-butanoate

Systemtic Name: (2S)-2-(4-bromophenyl)sulfanyl-3-methyl-butanoate Openeye Name: (2S)-2-(4-bromophenyl)sulfanyl-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)thio]-3-methylbutanoate IUPAC Name: (2S)-2-(4-bromophenyl)sulfanyl-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromophenyl)thio]-3-methyl-butyrate Formula: C11H12BrO2S- MolecularWeight: 288.18078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])SC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H13BrO2S/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,10H,1-2H3,(H,13,14)/p-1/t10-/m0/s1