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

Systemtic Name: 4-(2-bromophenyl)-2-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-[2-acetyl-5-(3-thienylmethoxy)phenoxy]-4-(2-bromophenyl)butanoic acid CAS Name: 2-[2-acetyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-bromophenyl)butanoic acid IUPAC Name: 2-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-bromophenyl)butanoic acid Traditional Name: 2-[2-acetyl-5-(3-thenyloxy)phenoxy]-4-(2-bromophenyl)butyric acid Formula: C23H21BrO5S MolecularWeight: 489.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC3=CC=CC=C3Br)C(=O)O

InChI

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