bis(1,3-benzothiazol-2-ylmethyl) pyridine-2,6-dicarboxylate

Systemtic Name: bis(1,3-benzothiazol-2-ylmethyl) pyridine-2,6-dicarboxylate Openeye Name: bis(1,3-benzothiazol-2-ylmethyl) pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis(1,3-benzothiazol-2-ylmethyl) ester IUPAC Name: bis(1,3-benzothiazol-2-ylmethyl) pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis(1,3-benzothiazol-2-ylmethyl) ester Formula: C23H15N3O4S2 MolecularWeight: 461.5129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=NC(=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=NC(=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H15N3O4S2/c27-22(29-12-20-25-14-6-1-3-10-18(14)31-20)16-8-5-9-17(24-16)23(28)30-13-21-26-15-7-2-4-11-19(15)32-21/h1-11H,12-13H2