[3-(4-chloranylphenoxy)-5,6-bis(oxidanyl)-1-benzothiophen-2-yl] 2-pyridin-4-ylprop-2-enoate

Systemtic Name: [3-(4-chloranylphenoxy)-5,6-bis(oxidanyl)-1-benzothiophen-2-yl] 2-pyridin-4-ylprop-2-enoate Openeye Name: [3-(4-chlorophenoxy)-5,6-dihydroxy-benzothiophen-2-yl] 2-(4-pyridyl)prop-2-enoate CAS Name: 2-pyridin-4-yl-2-propenoic acid [3-(4-chlorophenoxy)-5,6-dihydroxy-1-benzothiophen-2-yl] ester IUPAC Name: [3-(4-chlorophenoxy)-5,6-dihydroxy-1-benzothiophen-2-yl] 2-pyridin-4-ylprop-2-enoate Traditional Name: 2-(4-pyridyl)acrylic acid [3-(4-chlorophenoxy)-5,6-dihydroxy-benzothiophen-2-yl] ester Formula: C22H14ClNO5S MolecularWeight: 439.86826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=NC=C1)C(=O)OC2=C(C3=CC(=C(C=C3S2)O)O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C=C(C1=CC=NC=C1)C(=O)OC2=C(C3=CC(=C(C=C3S2)O)O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14ClNO5S/c1-12(13-6-8-24-9-7-13)21(27)29-22-20(28-15-4-2-14(23)3-5-15)16-10-17(25)18(26)11-19(16)30-22/h2-11,25-26H,1H2