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

Systemtic Name: methyl 2-[[7-bromanyl-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetate CAS Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetate Traditional Name: 2-[[7-bromo-2-(4-methoxyphenyl)-5H-chromeno[2,3-d]pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S/c1-26-15-6-3-12(4-7-15)19-23-20-16(21(24-19)29-11-18(25)27-2)10-13-9-14(22)5-8-17(13)28-20/h3-9H,10-11H2,1-2H3