[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C23H17ClN4O3S MolecularWeight: 464.92408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)N=N1

InChI

InChI=1S/C23H17ClN4O3S/c1-2-27-17-9-7-14(11-16(17)25-26-27)23(30)31-13-22(29)28-18-5-3-4-6-20(18)32-21-10-8-15(24)12-19(21)28/h3-12H,2,13H2,1H3