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

Systemtic Name: methyl 2-(3-chlorophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]ethanoate Openeye Name: methyl 2-(3-chlorophenyl)-2-[2-cyano-5-(3-thienylmethoxy)phenoxy]acetate CAS Name: 2-(3-chlorophenyl)-2-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-(3-chlorophenyl)-2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]acetate Traditional Name: 2-(3-chlorophenyl)-2-[2-cyano-5-(3-thenyloxy)phenoxy]acetic acid methyl ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO4S/c1-25-21(24)20(15-3-2-4-17(22)9-15)27-19-10-18(6-5-16(19)11-23)26-12-14-7-8-28-13-14/h2-10,13,20H,12H2,1H3