(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO5S MolecularWeight: 411.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H15BrO5S/c1-20-14-6-11(24-2)3-4-12(14)17(19)21-8-10-5-15-16(7-13(10)18)23-9-22-15/h3-7H,8-9H2,1-2H3