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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H13Cl2NO3S2 MolecularWeight: 486.39022

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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(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H13Cl2NO3S2/c24-13-9-10-14-19(11-13)31-22(21(14)25)23(28)29-12-20(27)26-15-5-1-3-7-17(15)30-18-8-4-2-6-16(18)26/h1-11H,12H2