2-[5-bromanyl-4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-(5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-(5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-(5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-ethoxy-phenoxy]acetic acid Formula: C22H21BrN2O5S MolecularWeight: 505.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)Br)OCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)Br)OCC(=O)O

InChI

InChI=1S/C22H21BrN2O5S/c1-3-29-16-9-14(15(23)10-17(16)30-11-18(27)28)21-19(12(2)26)20(24-22(31)25-21)13-7-5-4-6-8-13/h4-10,21H,3,11H2,1-2H3,(H,27,28)(H2,24,25,31)