2-(4-cyanophenyl)-3-(4,7-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(4-cyanophenyl)-3-(4,7-dimethoxy-1-benzothiophen-2-yl)-2-methyl-propanoic acid Openeye Name: 2-(4-cyanophenyl)-3-(4,7-dimethoxybenzothiophen-2-yl)-2-methyl-propanoic acid CAS Name: 2-(4-cyanophenyl)-3-(4,7-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid IUPAC Name: 2-(4-cyanophenyl)-3-(4,7-dimethoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid Traditional Name: 2-(4-cyanophenyl)-3-(4,7-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S/c1-21(20(23)24,14-6-4-13(12-22)5-7-14)11-15-10-16-17(25-2)8-9-18(26-3)19(16)27-15/h4-10H,11H2,1-3H3,(H,23,24)