(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic 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 (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C22H14N4O3S MolecularWeight: 414.43656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C=CC(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C22H14N4O3S/c27-20-11-15(25-22-26(20)18-7-3-4-8-19(18)30-22)13-29-21(28)10-9-14-12-23-16-5-1-2-6-17(16)24-14/h1-12H,13H2/b10-9+