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

Systemtic Name: (E)-3-[5,6-bis(phenylmethoxy)-3-(4-pyridin-4-ylphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid Openeye Name: (E)-3-[5,6-dibenzyloxy-3-[4-(4-pyridyl)phenoxy]benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[5,6-bis(phenylmethoxy)-3-(4-pyridin-4-ylphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-2-propenoic acid IUPAC Name: (E)-3-[5,6-bis(phenylmethoxy)-3-(4-pyridin-4-ylphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoic acid Traditional Name: (E)-3-[5,6-dibenzoxy-3-[4-(4-pyridyl)phenoxy]benzothiophen-2-yl]-2-(4-pyridyl)acrylic acid Formula: C41H30N2O5S MolecularWeight: 662.7523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=C(S3)C=C(C4=CC=NC=C4)C(=O)O)OC5=CC=C(C=C5)C6=CC=NC=C6)OCC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=C(S3)/C=C(\C4=CC=NC=C4)/C(=O)O)OC5=CC=C(C=C5)C6=CC=NC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C41H30N2O5S/c44-41(45)34(32-17-21-43-22-18-32)24-39-40(48-33-13-11-30(12-14-33)31-15-19-42-20-16-31)35-23-36(46-26-28-7-3-1-4-8-28)37(25-38(35)49-39)47-27-29-9-5-2-6-10-29/h1-25H,26-27H2,(H,44,45)/b34-24+