(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C22H28N2O4S/c1-21(2,3)18(25)13-28-20(27)16-9-5-6-10-17(16)29-14-19(26)24-22(15-23)11-7-4-8-12-22/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,24,26)