(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-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=CN=CC=C3)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

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

InChI

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