(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C20H19NO3S/c1-20(2,3)18(22)13-24-19(23)15-9-5-7-11-17(15)25-16-10-6-4-8-14(16)12-21/h4-11H,13H2,1-3H3