(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-bromanylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-bromanylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14BrNO3S MolecularWeight: 440.30976

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrNO3S/c22-15-7-5-6-14(12-15)21(25)26-13-20(24)23-16-8-1-3-10-18(16)27-19-11-4-2-9-17(19)23/h1-12H,13H2