ethyl 3-[(4-cyano-2-methoxy-phenoxy)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-cyano-2-methoxy-phenoxy)methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-cyano-2-methoxy-phenoxy)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4-cyano-2-methoxyphenoxy)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyano-2-methoxyphenoxy)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-cyano-2-methoxy-phenoxy)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C20H16FNO4S MolecularWeight: 385.408743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C20H16FNO4S/c1-3-25-20(23)19-13(18-14(21)5-4-6-17(18)27-19)11-26-15-8-7-12(10-22)9-16(15)24-2/h4-9H,3,11H2,1-2H3