(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C21H13BrN2O4S MolecularWeight: 469.30792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C21H13BrN2O4S/c1-11-14-8-12(22)6-7-16(14)28-19(11)20(26)27-10-13-9-18(25)24-15-4-2-3-5-17(15)29-21(24)23-13/h2-9H,10H2,1H3