methyl 2-[[2-(3,3-dimethyl-2-oxidanylidene-butoxy)carbonylphenyl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[2-(3,3-dimethyl-2-oxidanylidene-butoxy)carbonylphenyl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-[[2-(3,3-dimethyl-2-oxo-butoxy)carbonylphenyl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[2-[(3,3-dimethyl-2-oxobutoxy)-oxomethyl]phenyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,3-dimethyl-2-oxobutoxy)carbonylphenyl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[2-(2-keto-3,3-dimethyl-butoxy)carbonylphenyl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O6S/c1-20(2,3)17(21)11-26-19(23)14-7-5-6-8-16(14)27-12-15-13(9-10-25-15)18(22)24-4/h5-10H,11-12H2,1-4H3