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

Systemtic Name: 2-methyl-2-[[3-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]butanoic acid Openeye Name: 2-methyl-2-[[3-(2-quinolylmethoxy)benzothiophene-2-carbonyl]amino]butanoic acid CAS Name: 2-methyl-2-[[oxo-[3-(2-quinolinylmethoxy)-1-benzothiophen-2-yl]methyl]amino]butanoic acid IUPAC Name: 2-methyl-2-[[3-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carbonyl]amino]butanoic acid Traditional Name: 2-methyl-2-[[3-(2-quinolylmethoxy)benzothiophene-2-carbonyl]amino]butyric acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-3-24(2,23(28)29)26-22(27)21-20(17-9-5-7-11-19(17)31-21)30-14-16-13-12-15-8-4-6-10-18(15)25-16/h4-13H,3,14H2,1-2H3,(H,26,27)(H,28,29)