(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2,3,6-tris(chloranyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2,3,6-tris(chloranyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H12Cl3NO3S MolecularWeight: 464.74888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C=CC(=C4Cl)Cl)Cl

InChI

InChI=1S/C21H12Cl3NO3S/c22-12-9-10-13(23)20(24)19(12)21(27)28-11-18(26)25-14-5-1-3-7-16(14)29-17-8-4-2-6-15(17)25/h1-10H,11H2