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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-tert-butylbenzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-22(2,3)15-10-8-14(9-11-15)20(26)27-13-16-12-19(25)24-17-6-4-5-7-18(17)28-21(24)23-16/h4-12H,13H2,1-3H3