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

Systemtic Name: 4-(2-bromophenyl)-4-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-[2-acetyl-5-(3-thienylmethoxy)phenoxy]-4-(2-bromophenyl)butanoate CAS Name: 4-[2-acetyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-bromophenyl)butanoate IUPAC Name: 4-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-bromophenyl)butanoate Traditional Name: 4-[2-acetyl-5-(3-thenyloxy)phenoxy]-4-(2-bromophenyl)butyrate Formula: C23H20BrO5S- MolecularWeight: 488.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC(=O)[O-])C3=CC=CC=C3Br

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC(=O)[O-])C3=CC=CC=C3Br

InChI

InChI=1S/C23H21BrO5S/c1-15(25)18-7-6-17(28-13-16-10-11-30-14-16)12-22(18)29-21(8-9-23(26)27)19-4-2-3-5-20(19)24/h2-7,10-12,14,21H,8-9,13H2,1H3,(H,26,27)/p-1