1,3-benzothiazol-2-ylmethyl 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H15N3O2S MolecularWeight: 397.4491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H15N3O2S/c27-23(28-14-22-26-19-9-3-4-10-21(19)29-22)17-12-20(15-6-5-11-24-13-15)25-18-8-2-1-7-16(17)18/h1-13H,14H2