(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-acetamido-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-acetamido-3-phenyl-propanoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic 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 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC(=O)N2C3=CC=CC=C3SC2=N1)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CC(=O)N2C3=CC=CC=C3SC2=N1)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c1-14(26)23-17(15-7-3-2-4-8-15)12-21(28)29-13-16-11-20(27)25-18-9-5-6-10-19(18)30-22(25)24-16/h2-11,17H,12-13H2,1H3,(H,23,26)