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

Systemtic Name: O3-tert-butyl O1-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-methoxypropanedioate Openeye Name: O1-tert-butyl O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) 2-methoxypropanedioate CAS Name: 2-methoxypropanedioic 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-methoxypropanedioate Traditional Name: 2-methoxymalonic acid O1-tert-butyl ester O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-23(2,3)30-21(27)19(28-4)20(26)29-15-9-7-8-14(12-15)16-13-25-17-10-5-6-11-18(17)31-22(25)24-16/h5-13,19H,1-4H3