3-[3-(diethylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid

Systemtic Name: 3-[3-(diethylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Openeye Name: 3-[3-(diethylamino)benzothiophen-2-yl]-2-(4-isopropylphenyl)-2-methyl-propanoic acid CAS Name: 3-[3-(diethylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 3-[3-(diethylamino)-1-benzothiophen-2-yl]-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Traditional Name: 3-[3-(diethylamino)benzothiophen-2-yl]-2-methyl-2-p-cumenyl-propionic acid Formula: C25H31NO2S MolecularWeight: 409.58414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(SC2=CC=CC=C21)CC(C)(C3=CC=C(C=C3)C(C)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=C(SC2=CC=CC=C21)CC(C)(C3=CC=C(C=C3)C(C)C)C(=O)O

InChI

InChI=1S/C25H31NO2S/c1-6-26(7-2)23-20-10-8-9-11-21(20)29-22(23)16-25(5,24(27)28)19-14-12-18(13-15-19)17(3)4/h8-15,17H,6-7,16H2,1-5H3,(H,27,28)