3-[4-[2-[5-(4-cyanopyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)-2-thienyl]ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-[5-(4-cyano-2-pyrimidinyl)-2-thiophenyl]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[2-[5-(4-cyanopyrimidin-2-yl)-2-thienyl]ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(S2)C3=NC=CC(=N3)C#N)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(S2)C3=NC=CC(=N3)C#N)C(=O)O

InChI

InChI=1S/C22H21N3O4S/c1-2-28-19(22(26)27)13-15-3-5-17(6-4-15)29-12-10-18-7-8-20(30-18)21-24-11-9-16(14-23)25-21/h3-9,11,19H,2,10,12-13H2,1H3,(H,26,27)