[3,5-dimethoxy-2-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl] 2-[(E)-but-2-enoyl]sulfanylethanoate

Systemtic Name: [3,5-dimethoxy-2-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl] 2-[(E)-but-2-enoyl]sulfanylethanoate Openeye Name: [3,5-dimethoxy-2-[(E)-3-(4-pyridyl)prop-2-enoyl]phenyl] 2-[(E)-but-2-enoyl]sulfanylacetate CAS Name: 2-[[(E)-1-oxobut-2-enyl]thio]acetic acid [3,5-dimethoxy-2-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]phenyl] ester IUPAC Name: [3,5-dimethoxy-2-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl] 2-[(E)-but-2-enoyl]sulfanylacetate Traditional Name: 2-[[(E)-but-2-enoyl]thio]acetic acid [3,5-dimethoxy-2-[(E)-3-(4-pyridyl)acryloyl]phenyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)SCC(=O)OC1=C(C(=CC(=C1)OC)OC)C(=O)C=CC2=CC=NC=C2

Isomeric SMILES

C/C=C/C(=O)SCC(=O)OC1=C(C(=CC(=C1)OC)OC)C(=O)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C22H21NO6S/c1-4-5-21(26)30-14-20(25)29-19-13-16(27-2)12-18(28-3)22(19)17(24)7-6-15-8-10-23-11-9-15/h4-13H,14H2,1-3H3/b5-4+,7-6+