diethyl 3-isothiocyanato-3-(2-phenylpropan-2-yldiazenyl)pentanedioate

Systemtic Name: diethyl 3-isothiocyanato-3-(2-phenylpropan-2-yldiazenyl)pentanedioate Openeye Name: diethyl 3-isothiocyanato-3-(1-methyl-1-phenyl-ethyl)azo-pentanedioate CAS Name: 3-isothiocyanato-3-(2-phenylpropan-2-ylazo)pentanedioic acid diethyl ester IUPAC Name: diethyl 3-isothiocyanato-3-(2-phenylpropan-2-yldiazenyl)pentanedioate Traditional Name: 3-cumylazo-3-isothiocyanato-glutaric acid diethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)OCC)(N=C=S)N=NC(C)(C)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(CC(=O)OCC)(N=C=S)N=NC(C)(C)C1=CC=CC=C1

InChI

InChI=1S/C19H25N3O4S/c1-5-25-16(23)12-19(20-14-27,13-17(24)26-6-2)22-21-18(3,4)15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3