methyl 2-[2-cyano-5-(1,2-thiazol-3-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoate

Systemtic Name: methyl 2-[2-cyano-5-(1,2-thiazol-3-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoate Openeye Name: methyl 2-[2-cyano-5-(isothiazol-3-ylmethoxy)phenoxy]-2-(o-tolyl)acetate CAS Name: 2-[2-cyano-5-(3-isothiazolylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid methyl ester IUPAC Name: methyl 2-[2-cyano-5-(1,2-thiazol-3-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetate Traditional Name: 2-[2-cyano-5-(isothiazol-3-ylmethoxy)phenoxy]-2-(o-tolyl)acetic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)OC)OC2=C(C=CC(=C2)OCC3=NSC=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)OC)OC2=C(C=CC(=C2)OCC3=NSC=C3)C#N

InChI

InChI=1S/C21H18N2O4S/c1-14-5-3-4-6-18(14)20(21(24)25-2)27-19-11-17(8-7-15(19)12-22)26-13-16-9-10-28-23-16/h3-11,20H,13H2,1-2H3