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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C21H26N2O4S/c1-20(2,3)17(24)12-27-19(26)15-8-4-5-9-16(15)28-13-18(25)23-21(14-22)10-6-7-11-21/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,23,25)