(2-methoxy-5-methyl-phenyl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-methoxy-5-methyl-benzyl) ester Formula: C19H21BrO3S MolecularWeight: 409.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C19H21BrO3S/c1-12-5-6-17(22-4)15(7-12)10-23-19(21)11-24-18-9-13(2)16(20)8-14(18)3/h5-9H,10-11H2,1-4H3