(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H15BrO5S MolecularWeight: 399.2563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)C2=CC=CS2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC(=O)C2=CC=CS2)Br)OC

InChI

InChI=1S/C16H15BrO5S/c1-20-13-6-10(11(17)8-14(13)21-2)7-16(19)22-9-12(18)15-4-3-5-23-15/h3-6,8H,7,9H2,1-2H3