[4-(4-bromophenyl)sulfanyl-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-oxidanylidene-butyl] ethanoate Openeye Name: [4-(4-bromophenyl)sulfanyl-3-oxo-butyl] acetate CAS Name: acetic acid [4-[(4-bromophenyl)thio]-3-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-oxobutyl] acetate Traditional Name: acetic acid [4-[(4-bromophenyl)thio]-3-keto-butyl] ester Formula: C12H13BrO3S MolecularWeight: 317.19882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CC(=O)OCCC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C12H13BrO3S/c1-9(14)16-7-6-11(15)8-17-12-4-2-10(13)3-5-12/h2-5H,6-8H2,1H3