2-[[7-bromanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[7-bromanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid CAS Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]acetic acid IUPAC Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid Traditional Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]acetic acid Formula: C20H15BrN2O4S MolecularWeight: 459.3131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(CC4=C(O3)C=CC(=C4)Br)C(=N2)SCC(=O)O

InChI

InChI=1S/C20H15BrN2O4S/c1-26-14-5-2-11(3-6-14)18-22-19-15(20(23-18)28-10-17(24)25)9-12-8-13(21)4-7-16(12)27-19/h2-8H,9-10H2,1H3,(H,24,25)