[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C24H16N4O3S MolecularWeight: 440.47384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H16N4O3S/c29-22(28-24-27-19-7-3-4-8-21(19)32-24)14-31-23(30)17-13-20(15-9-11-25-12-10-15)26-18-6-2-1-5-16(17)18/h1-13H,14H2,(H,27,28,29)