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

Systemtic Name: (E)-3-[3-(4-imidazol-1-ylphenoxy)-5,6-bis(phenylmethoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoate Openeye Name: (E)-3-[5,6-dibenzyloxy-3-(4-imidazol-1-ylphenoxy)benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoate CAS Name: (E)-3-[3-[4-(1-imidazolyl)phenoxy]-5,6-bis(phenylmethoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-2-propenoate IUPAC Name: (E)-3-[3-(4-imidazol-1-ylphenoxy)-5,6-bis(phenylmethoxy)-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoate Traditional Name: (E)-3-[5,6-dibenzoxy-3-(4-imidazol-1-ylphenoxy)benzothiophen-2-yl]-2-(4-pyridyl)acrylate Formula: C39H28N3O5S- MolecularWeight: 650.72172

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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)N6C=CN=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)N6C=CN=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C39H29N3O5S/c43-39(44)32(29-15-17-40-18-16-29)22-37-38(47-31-13-11-30(12-14-31)42-20-19-41-26-42)33-21-34(45-24-27-7-3-1-4-8-27)35(23-36(33)48-37)46-25-28-9-5-2-6-10-28/h1-23,26H,24-25H2,(H,43,44)/p-1/b32-22+