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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl benzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C18H12N2O3S/c21-16-10-13(11-23-17(22)12-6-2-1-3-7-12)19-18-20(16)14-8-4-5-9-15(14)24-18/h1-10H,11H2