methyl 5-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C17H17BrO5S/c1-10-7-15(11(2)6-13(10)18)24-9-16(19)22-8-12-4-5-14(23-12)17(20)21-3/h4-7H,8-9H2,1-3H3