O1-ethyl O6-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) hexanedioate

Systemtic Name: O1-ethyl O6-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) hexanedioate Openeye Name: O1-ethyl O6-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) hexanedioate CAS Name: hexanedioic acid O1-ethyl ester O6-[3-(2-imidazo[2,1-b][1,3]benzothiazolyl)phenyl] ester IUPAC Name: 1-O-ethyl 6-O-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) hexanedioate Traditional Name: adipic acid O1-ethyl ester O6-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl) ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-2-28-21(26)12-5-6-13-22(27)29-17-9-7-8-16(14-17)18-15-25-19-10-3-4-11-20(19)30-23(25)24-18/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3