ethyl 4-(2-bromophenyl)-4-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate

Systemtic Name: ethyl 4-(2-bromophenyl)-4-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: ethyl 4-[2-acetyl-5-(3-thienylmethoxy)phenoxy]-4-(2-bromophenyl)butanoate CAS Name: 4-[2-acetyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-bromophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-bromophenyl)butanoate Traditional Name: 4-[2-acetyl-5-(3-thenyloxy)phenoxy]-4-(2-bromophenyl)butyric acid ethyl ester Formula: C25H25BrO5S MolecularWeight: 517.432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1Br)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1Br)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)C

InChI

InChI=1S/C25H25BrO5S/c1-3-29-25(28)11-10-23(21-6-4-5-7-22(21)26)31-24-14-19(8-9-20(24)17(2)27)30-15-18-12-13-32-16-18/h4-9,12-14,16,23H,3,10-11,15H2,1-2H3