(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic 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 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C24H19N3O3S/c1-3-17-14(2)22(16-8-4-5-9-18(16)26-17)23(29)30-13-15-12-21(28)27-19-10-6-7-11-20(19)31-24(27)25-15/h4-12H,3,13H2,1-2H3