(E)-3-[5,6-dimethoxy-3-(4-phenylmethoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[5,6-dimethoxy-3-(4-phenylmethoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid Openeye Name: (E)-3-[3-(4-benzyloxyphenoxy)-5,6-dimethoxy-benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[5,6-dimethoxy-3-(4-phenylmethoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-2-propenoic acid IUPAC Name: (E)-3-[5,6-dimethoxy-3-(4-phenylmethoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoic acid Traditional Name: (E)-3-[3-(4-benzoxyphenoxy)-5,6-dimethoxy-benzothiophen-2-yl]-2-(4-pyridyl)acrylic acid Formula: C31H25NO6S MolecularWeight: 539.5983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(S2)C=C(C3=CC=NC=C3)C(=O)O)OC4=CC=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(S2)/C=C(\C3=CC=NC=C3)/C(=O)O)OC4=CC=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C31H25NO6S/c1-35-26-16-25-28(18-27(26)36-2)39-29(17-24(31(33)34)21-12-14-32-15-13-21)30(25)38-23-10-8-22(9-11-23)37-19-20-6-4-3-5-7-20/h3-18H,19H2,1-2H3,(H,33,34)/b24-17+