(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-chloro-1-methyl-2-imidazolyl)methylthio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NC=C(N2C)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=NC=C(N2C)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-18(2,3)14(22)10-24-17(23)12-7-5-6-8-13(12)25-11-16-20-9-15(19)21(16)4/h5-9H,10-11H2,1-4H3