2-methyl-2-[[3-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[3-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-methyl-2-[[3-(2-quinolylmethoxy)benzothiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-methyl-2-[[oxo-[3-(2-quinolinylmethoxy)-1-benzothiophen-2-yl]methyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[3-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-methyl-2-[[3-(2-quinolylmethoxy)benzothiophene-2-carbonyl]amino]propionic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N2O4S/c1-23(2,22(27)28)25-21(26)20-19(16-8-4-6-10-18(16)30-20)29-13-15-12-11-14-7-3-5-9-17(14)24-15/h3-12H,13H2,1-2H3,(H,25,26)(H,27,28)