(E)-3-[3-(4-chloranylphenoxy)-5-oxidanyl-6-phenylmethoxy-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[3-(4-chloranylphenoxy)-5-oxidanyl-6-phenylmethoxy-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid Openeye Name: (E)-3-[6-benzyloxy-3-(4-chlorophenoxy)-5-hydroxy-benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[3-(4-chlorophenoxy)-5-hydroxy-6-phenylmethoxy-1-benzothiophen-2-yl]-2-pyridin-4-yl-2-propenoic acid IUPAC Name: (E)-3-[3-(4-chlorophenoxy)-5-hydroxy-6-phenylmethoxy-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoic acid Traditional Name: (E)-3-[6-benzoxy-3-(4-chlorophenoxy)-5-hydroxy-benzothiophen-2-yl]-2-(4-pyridyl)acrylic acid Formula: C29H20ClNO5S MolecularWeight: 529.9908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)SC(=C3OC4=CC=C(C=C4)Cl)C=C(C5=CC=NC=C5)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)SC(=C3OC4=CC=C(C=C4)Cl)/C=C(\C5=CC=NC=C5)/C(=O)O)O

InChI

InChI=1S/C29H20ClNO5S/c30-20-6-8-21(9-7-20)36-28-23-14-24(32)25(35-17-18-4-2-1-3-5-18)16-26(23)37-27(28)15-22(29(33)34)19-10-12-31-13-11-19/h1-16,32H,17H2,(H,33,34)/b22-15+