(3,3-dimethyl-2-oxidanylidene-butyl) 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CO2

InChI

InChI=1S/C18H20O4S/c1-18(2,3)16(19)11-22-17(20)14-8-4-5-9-15(14)23-12-13-7-6-10-21-13/h4-10H,11-12H2,1-3H3