(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C20H13BrN2O3S MolecularWeight: 441.29782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H13BrN2O3S/c21-14-9-13(10-22-11-14)20(25)26-12-19(24)23-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)23/h1-11H,12H2