O1-ethyl O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) propanedioate

Systemtic Name: O1-ethyl O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) propanedioate Openeye Name: O1-ethyl O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[3-(2-imidazo[2,1-b][1,3]benzothiazolyl)phenyl] ester IUPAC Name: 1-O-ethyl 3-O-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) propanedioate Traditional Name: malonic acid O1-ethyl ester O3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC1=CC=CC(=C1)C2=CN3C4=CC=CC=C4SC3=N2

Isomeric SMILES

CCOC(=O)CC(=O)OC1=CC=CC(=C1)C2=CN3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C20H16N2O4S/c1-2-25-18(23)11-19(24)26-14-7-5-6-13(10-14)15-12-22-16-8-3-4-9-17(16)27-20(22)21-15/h3-10,12H,2,11H2,1H3