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

Systemtic Name: methyl 5-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C16H15BrO5S/c1-10-7-11(17)3-6-14(10)23-9-15(18)21-8-12-4-5-13(22-12)16(19)20-2/h3-7H,8-9H2,1-2H3