[5,6-dimethoxy-3-(3-pentylphenoxy)-1-benzothiophen-2-yl] 2-pyridin-4-ylprop-2-enoate

Systemtic Name: [5,6-dimethoxy-3-(3-pentylphenoxy)-1-benzothiophen-2-yl] 2-pyridin-4-ylprop-2-enoate Openeye Name: [5,6-dimethoxy-3-(3-pentylphenoxy)benzothiophen-2-yl] 2-(4-pyridyl)prop-2-enoate CAS Name: 2-pyridin-4-yl-2-propenoic acid [5,6-dimethoxy-3-(3-pentylphenoxy)-1-benzothiophen-2-yl] ester IUPAC Name: [5,6-dimethoxy-3-(3-pentylphenoxy)-1-benzothiophen-2-yl] 2-pyridin-4-ylprop-2-enoate Traditional Name: 2-(4-pyridyl)acrylic acid [3-(3-amylphenoxy)-5,6-dimethoxy-benzothiophen-2-yl] ester Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)OC(=O)C(=C)C4=CC=NC=C4

Isomeric SMILES

CCCCCC1=CC(=CC=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)OC(=O)C(=C)C4=CC=NC=C4

InChI

InChI=1S/C29H29NO5S/c1-5-6-7-9-20-10-8-11-22(16-20)34-27-23-17-24(32-3)25(33-4)18-26(23)36-29(27)35-28(31)19(2)21-12-14-30-15-13-21/h8,10-18H,2,5-7,9H2,1,3-4H3