3-(2,3-dihydro-1-benzofuran-6-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]propanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]propanoic acid Openeye Name: 3-(2,3-dihydrobenzofuran-6-yl)-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]benzothiophen-3-yl]propanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzothiophen-3-yl]propanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]propanoic acid Traditional Name: 3-coumaran-6-yl-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]benzothiophen-3-yl]propionic acid Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CS3)C(CC(=O)O)C4=CC5=C(CCO5)C=C4

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CS3)C(CC(=O)O)C4=CC5=C(CCO5)C=C4

InChI

InChI=1S/C27H26N2O4S/c1-28-26-4-2-3-19(29-26)10-12-32-20-7-8-21-23(16-34-25(21)14-20)22(15-27(30)31)18-6-5-17-9-11-33-24(17)13-18/h2-8,13-14,16,22H,9-12,15H2,1H3,(H,28,29)(H,30,31)