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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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-phenylbutanoate Traditional Name: 2-phenylbutyric acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-2-16(14-8-4-3-5-9-14)20(25)26-13-15-12-19(24)23-17-10-6-7-11-18(17)27-21(23)22-15/h3-12,16H,2,13H2,1H3