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

Systemtic Name: 2-ethoxy-3-[4-[2-(3-methyl-5-pyrimidin-2-yl-thiophen-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(3-methyl-5-pyrimidin-2-yl-2-thienyl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[3-methyl-5-(2-pyrimidinyl)-2-thiophenyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(3-methyl-5-pyrimidin-2-ylthiophen-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[3-methyl-5-(2-pyrimidyl)-2-thienyl]ethoxy]phenyl]propionic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-3-27-18(22(25)26)14-16-5-7-17(8-6-16)28-12-9-19-15(2)13-20(29-19)21-23-10-4-11-24-21/h4-8,10-11,13,18H,3,9,12,14H2,1-2H3,(H,25,26)