2-methyl-2-[[7-(3-phenylpropoxy)-1-benzothiophen-6-yl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[7-(3-phenylpropoxy)-1-benzothiophen-6-yl]carbonylamino]propanoic acid Openeye Name: 2-methyl-2-[[7-(3-phenylpropoxy)benzothiophene-6-carbonyl]amino]propanoic acid CAS Name: 2-methyl-2-[[oxo-[7-(3-phenylpropoxy)-1-benzothiophen-6-yl]methyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[7-(3-phenylpropoxy)-1-benzothiophene-6-carbonyl]amino]propanoic acid Traditional Name: 2-methyl-2-[[7-(3-phenylpropoxy)benzothiophene-6-carbonyl]amino]propionic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=C(C=C1)C=CS2)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=C(C=C1)C=CS2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c1-22(2,21(25)26)23-20(24)17-11-10-16-12-14-28-19(16)18(17)27-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-12,14H,6,9,13H2,1-2H3,(H,23,24)(H,25,26)