(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,4,6-trichlorobenzothiophene-2-carboxylate CAS Name: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,4,6-trichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,4,6-trichlorobenzothiophene-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H12Cl3NO3S2 MolecularWeight: 520.83528

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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(C5=C(C=C(C=C5S4)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C5=C(C=C(C=C5S4)Cl)Cl)Cl

InChI

InChI=1S/C23H12Cl3NO3S2/c24-12-9-13(25)20-18(10-12)32-22(21(20)26)23(29)30-11-19(28)27-14-5-1-3-7-16(14)31-17-8-4-2-6-15(17)27/h1-10H,11H2