O3-tert-butyl O1-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-methylpropanedioate

Systemtic Name: O3-tert-butyl O1-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-methylpropanedioate Openeye Name: O1-tert-butyl O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-methylpropanedioate CAS Name: 2-methylpropanedioic acid O3-tert-butyl ester O1-[3-(2-imidazo[2,1-b][1,3]benzothiazolyl)phenyl] ester IUPAC Name: 3-O-tert-butyl 1-O-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-methylpropanedioate Traditional Name: 2-methylmalonic acid O1-tert-butyl ester O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) ester Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC(=C1)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)OC1=CC=CC(=C1)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H22N2O4S/c1-14(21(27)29-23(2,3)4)20(26)28-16-9-7-8-15(12-16)17-13-25-18-10-5-6-11-19(18)30-22(25)24-17/h5-14H,1-4H3