(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[2-(2-pyridyl)thiazol-4-yl]methylsulfanyl]benzoate CAS Name: 2-[[2-(2-pyridinyl)-4-thiazolyl]methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[[2-(2-pyridyl)thiazol-4-yl]methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CSC(=N2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CSC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C22H22N2O3S2/c1-22(2,3)19(25)12-27-21(26)16-8-4-5-10-18(16)28-13-15-14-29-20(24-15)17-9-6-7-11-23-17/h4-11,14H,12-13H2,1-3H3