methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxymethyl]benzoate CAS Name: 3-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxymethyl]benzoate Traditional Name: 3-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C18H17BrO4S MolecularWeight: 409.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H17BrO4S/c1-12-8-15(19)6-7-16(12)24-11-17(20)23-10-13-4-3-5-14(9-13)18(21)22-2/h3-9H,10-11H2,1-2H3