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

Systemtic Name: methyl 2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoate Openeye Name: methyl 2-[2-cyano-5-(3-thienylmethoxy)phenoxy]-2-(o-tolyl)acetate CAS Name: 2-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid methyl ester IUPAC Name: methyl 2-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetate Traditional Name: 2-[2-cyano-5-(3-thenyloxy)phenoxy]-2-(o-tolyl)acetic acid methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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=CSC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4S/c1-15-5-3-4-6-19(15)21(22(24)25-2)27-20-11-18(8-7-17(20)12-23)26-13-16-9-10-28-14-16/h3-11,14,21H,13H2,1-2H3