(2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid desyl ester Formula: C24H21BrO3S MolecularWeight: 469.39074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H21BrO3S/c1-16-14-21(17(2)13-20(16)25)29-15-22(26)28-24(19-11-7-4-8-12-19)23(27)18-9-5-3-6-10-18/h3-14,24H,15H2,1-2H3