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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 1-phenylcyclopropane-1-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic 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 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C21H16N2O3S/c24-18-12-15(22-20-23(18)16-8-4-5-9-17(16)27-20)13-26-19(25)21(10-11-21)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2