(4-methylsulfanylphenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [4-(methylthio)benzyl] ester Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC=C(C=C2)SC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)OCC2=CC=C(C=C2)SC)Br)OC

InChI

InChI=1S/C18H19BrO4S/c1-21-16-8-13(15(19)10-17(16)22-2)9-18(20)23-11-12-4-6-14(24-3)7-5-12/h4-8,10H,9,11H2,1-3H3