(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C30H19BrN2O3S MolecularWeight: 567.45246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H19BrN2O3S/c31-20-9-7-8-19(16-20)24-17-22(21-10-1-2-11-23(21)32-24)30(35)36-18-29(34)33-25-12-3-5-14-27(25)37-28-15-6-4-13-26(28)33/h1-17H,18H2