[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)N=N1

InChI

InChI=1S/C23H20N4O3S/c1-2-27-20-13-12-16(14-19(20)25-26-27)23(29)30-15-22(28)24-18-10-6-7-11-21(18)31-17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,24,28)