methyl 5-[2-(4-bromophenyl)sulfanylethanoyloxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[2-(4-bromophenyl)sulfanylethanoyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(4-bromophenyl)sulfanylacetyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[(4-bromophenyl)thio]-1-oxoethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-bromophenyl)sulfanylacetyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-[(4-bromophenyl)thio]acetyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)CSC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)CSC2=CC=C(C=C2)Br)C(=O)OC

InChI

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