(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H13Br2NO4S MolecularWeight: 535.20522

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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(=C4O)Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=CC(=C4O)Br)Br

InChI

InChI=1S/C21H13Br2NO4S/c22-12-9-13(20(26)14(23)10-12)21(27)28-11-19(25)24-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)24/h1-10,26H,11H2