3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-methoxycarbonylphenyl)-2-methyl-propanoic acid

Systemtic Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-methoxycarbonylphenyl)-2-methyl-propanoic acid Openeye Name: 3-(5,6-dimethoxybenzothiophen-2-yl)-2-(4-methoxycarbonylphenyl)-2-methyl-propanoic acid CAS Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid IUPAC Name: 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid Traditional Name: 2-(4-carbomethoxyphenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)-2-methyl-propionic acid Formula: C22H22O6S MolecularWeight: 414.47148

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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(=O)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22O6S/c1-22(21(24)25,15-7-5-13(6-8-15)20(23)28-4)12-16-9-14-10-17(26-2)18(27-3)11-19(14)29-16/h5-11H,12H2,1-4H3,(H,24,25)