pyridin-4-yl (E)-3-[4-[2-(5-octylthiophen-2-yl)ethylamino]phenyl]prop-2-enoate

Systemtic Name: pyridin-4-yl (E)-3-[4-[2-(5-octylthiophen-2-yl)ethylamino]phenyl]prop-2-enoate Openeye Name: 4-pyridyl (E)-3-[4-[2-(5-octyl-2-thienyl)ethylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-(5-octyl-2-thiophenyl)ethylamino]phenyl]-2-propenoic acid pyridin-4-yl ester IUPAC Name: pyridin-4-yl (E)-3-[4-[2-(5-octylthiophen-2-yl)ethylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-(5-octyl-2-thienyl)ethylamino]phenyl]acrylic acid 4-pyridyl ester Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(S1)CCNC2=CC=C(C=C2)C=CC(=O)OC3=CC=NC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(S1)CCNC2=CC=C(C=C2)/C=C/C(=O)OC3=CC=NC=C3

InChI

InChI=1S/C28H34N2O2S/c1-2-3-4-5-6-7-8-26-14-15-27(33-26)19-22-30-24-12-9-23(10-13-24)11-16-28(31)32-25-17-20-29-21-18-25/h9-18,20-21,30H,2-8,19,22H2,1H3/b16-11+