(E)-3-[5,6-bis[(4-phenylphenyl)methoxy]-3-(4-pyridin-4-yloxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[5,6-bis[(4-phenylphenyl)methoxy]-3-(4-pyridin-4-yloxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid Openeye Name: (E)-3-[5,6-bis[(4-phenylphenyl)methoxy]-3-[4-(4-pyridyloxy)phenoxy]benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[5,6-bis[(4-phenylphenyl)methoxy]-3-(4-pyridin-4-yloxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-2-propenoic acid IUPAC Name: (E)-3-[5,6-bis[(4-phenylphenyl)methoxy]-3-(4-pyridin-4-yloxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoic acid Traditional Name: (E)-3-[5,6-bis[(4-phenylbenzyl)oxy]-3-[4-(4-pyridyloxy)phenoxy]benzothiophen-2-yl]-2-(4-pyridyl)acrylic acid Formula: C53H38N2O6S MolecularWeight: 830.94362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C=C4C(=C3)C(=C(S4)C=C(C5=CC=NC=C5)C(=O)O)OC6=CC=C(C=C6)OC7=CC=NC=C7)OCC8=CC=C(C=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C=C4C(=C3)C(=C(S4)/C=C(\C5=CC=NC=C5)/C(=O)O)OC6=CC=C(C=C6)OC7=CC=NC=C7)OCC8=CC=C(C=C8)C9=CC=CC=C9

InChI

InChI=1S/C53H38N2O6S/c56-53(57)46(42-23-27-54-28-24-42)32-51-52(61-44-21-19-43(20-22-44)60-45-25-29-55-30-26-45)47-31-48(58-34-36-11-15-40(16-12-36)38-7-3-1-4-8-38)49(33-50(47)62-51)59-35-37-13-17-41(18-14-37)39-9-5-2-6-10-39/h1-33H,34-35H2,(H,56,57)/b46-32+