(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-bromanylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-bromanylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate Traditional Name: 4-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=C(C=C4)Br

Isomeric SMILES

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

InChI

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