2-[2-(2-bromophenyl)ethyl]-3-oxidanylidene-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 2-[2-(2-bromophenyl)ethyl]-3-oxidanylidene-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-[2-(2-bromophenyl)ethyl]-3-oxo-2-[3-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 2-[2-(2-bromophenyl)ethyl]-3-oxo-2-[3-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-[2-(2-bromophenyl)ethyl]-3-oxo-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-[2-(2-bromophenyl)ethyl]-3-keto-2-[3-(3-thenyloxy)phenoxy]butyric acid Formula: C23H21BrO5S MolecularWeight: 489.37884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1Br)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1Br)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

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