2-[6-[2-(6-methoxy-2-phenyl-pyrimidin-4-yl)sulfanylethoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(6-methoxy-2-phenyl-pyrimidin-4-yl)sulfanylethoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[2-(6-methoxy-2-phenyl-pyrimidin-4-yl)sulfanylethoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[2-[(6-methoxy-2-phenyl-4-pyrimidinyl)thio]ethoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[2-(6-methoxy-2-phenylpyrimidin-4-yl)sulfanylethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[2-[(6-methoxy-2-phenyl-pyrimidin-4-yl)thio]ethoxy]coumaran-3-yl]acetic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=CC=CC=C2)SCCOC3=CC4=C(C=C3)C(CO4)CC(=O)O

Isomeric SMILES

COC1=CC(=NC(=N1)C2=CC=CC=C2)SCCOC3=CC4=C(C=C3)C(CO4)CC(=O)O

InChI

InChI=1S/C23H22N2O5S/c1-28-20-13-21(25-23(24-20)15-5-3-2-4-6-15)31-10-9-29-17-7-8-18-16(11-22(26)27)14-30-19(18)12-17/h2-8,12-13,16H,9-11,14H2,1H3,(H,26,27)