(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H19N3O3S MolecularWeight: 489.54446

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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)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C29H19N3O3S/c33-28(32-24-9-3-5-11-26(24)36-27-12-6-4-10-25(27)32)18-35-29(34)21-17-23(19-13-15-30-16-14-19)31-22-8-2-1-7-20(21)22/h1-17H,18H2