(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO5S MolecularWeight: 411.267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO5S/c1-20-12-2-4-13(5-3-12)24-9-17(19)21-8-11-6-15-16(7-14(11)18)23-10-22-15/h2-7H,8-10H2,1H3