2-(2-bromophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]ethanoic acid

Systemtic Name: 2-(2-bromophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]ethanoic acid Openeye Name: 2-(2-bromophenyl)-2-[2-cyano-5-(3-thienylmethoxy)phenoxy]acetic acid CAS Name: 2-(2-bromophenyl)-2-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]acetic acid IUPAC Name: 2-(2-bromophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]acetic acid Traditional Name: 2-(2-bromophenyl)-2-[2-cyano-5-(3-thenyloxy)phenoxy]acetic acid Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)Br

InChI

InChI=1S/C20H14BrNO4S/c21-17-4-2-1-3-16(17)19(20(23)24)26-18-9-15(6-5-14(18)10-22)25-11-13-7-8-27-12-13/h1-9,12,19H,11H2,(H,23,24)