ethyl 3-(1-benzothiophen-2-yl)-2-(2-cyanophenyl)-2-methyl-propanoate

Systemtic Name: ethyl 3-(1-benzothiophen-2-yl)-2-(2-cyanophenyl)-2-methyl-propanoate Openeye Name: ethyl 3-(benzothiophen-2-yl)-2-(2-cyanophenyl)-2-methyl-propanoate CAS Name: 3-(1-benzothiophen-2-yl)-2-(2-cyanophenyl)-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzothiophen-2-yl)-2-(2-cyanophenyl)-2-methylpropanoate Traditional Name: 3-(benzothiophen-2-yl)-2-(2-cyanophenyl)-2-methyl-propionic acid ethyl ester Formula: C21H19NO2S MolecularWeight: 349.44606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC2=CC=CC=C2S1)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC2=CC=CC=C2S1)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H19NO2S/c1-3-24-20(23)21(2,18-10-6-4-9-16(18)14-22)13-17-12-15-8-5-7-11-19(15)25-17/h4-12H,3,13H2,1-2H3