methyl 2-(2-bromophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]ethanoate

Systemtic Name: methyl 2-(2-bromophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]ethanoate Openeye Name: methyl 2-(2-bromophenyl)-2-[2-cyano-5-(3-thienylmethoxy)phenoxy]acetate CAS Name: 2-(2-bromophenyl)-2-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-(2-bromophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]acetate Traditional Name: 2-(2-bromophenyl)-2-[2-cyano-5-(3-thenyloxy)phenoxy]acetic acid methyl ester Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Br)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Br)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N

InChI

InChI=1S/C21H16BrNO4S/c1-25-21(24)20(17-4-2-3-5-18(17)22)27-19-10-16(7-6-15(19)11-23)26-12-14-8-9-28-13-14/h2-10,13,20H,12H2,1H3