methyl 2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoate

Systemtic Name: methyl 2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoate Openeye Name: methyl 2-(4-cyanophenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propanoate CAS Name: 2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoate Traditional Name: 2-(4-cyanophenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S/c1-22(21(24)27-4,16-7-5-14(13-23)6-8-16)12-17-9-15-10-18(25-2)19(26-3)11-20(15)28-17/h5-11H,12H2,1-4H3